 Entering Gaussian System, Link 0=g16
 Input=01_S_methyloxirane_STD_B3LYPDBJ-def2TZVPDr.in
 Output=01_S_methyloxirane_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/01_S_methyloxirane_STD/Gau-212648.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/01_S_methyloxirane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    212649.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=01_S_methyloxirane_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:03:49 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "01_S_methyloxirane_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.037946000000      0.616050000000     -0.060586000000
  C                                                 0.152167000000     -0.036181000000      0.486338000000
  O                                                -0.827309000000     -0.787855000000     -0.240257000000
  H                                                -0.946334000000      1.214879000000     -0.962405000000
  H                                                -1.863621000000      0.880906000000      0.593045000000
  H                                                 0.153731000000     -0.252078000000      1.553032000000
  C                                                 1.505323000000      0.097870000000     -0.148585000000
  H                                                 1.410483000000      0.321151000000     -1.211784000000
  H                                                 2.073470000000     -0.828389000000     -0.041354000000
  H                                                 2.073478000000      0.899940000000      0.328527000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     10 NQM=       10 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          16           1           1           1          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           0           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 18:03:49 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.463181   0.000000
     3  O    1.430943   1.432595   0.000000
     4  H    1.086401   2.206969   2.132278   0.000000
     5  H    1.085874   2.217169   2.133799   1.836404   0.000000
     6  H    2.185750   1.088324   2.113145   3.112801   2.504982
     7  C    2.597012   1.500709   2.496815   2.814362   3.537364
     8  H    2.721585   2.143517   2.679827   2.532889   3.780276
     9  H    3.430406   2.144168   2.907873   3.760651   4.338760
    10  H    3.148486   2.143050   3.403929   3.299236   3.946021
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.201083   0.000000
     8  H    3.090667   1.090523   0.000000
     9  H    2.561171   1.091900   1.769435   0.000000
    10  H    2.551859   1.092590   1.774012   1.767465   0.000000
 Stoichiometry    C3H6O
 Framework group  C1[X(C3H6O)]
 Deg. of freedom    24
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.36D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
 Rotational constants (GHZ):          18.2186332           6.6800760           5.9518073
 Leave Link  202 at Thu Jul 22 18:03:49 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       4      5      6      8      9     10
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 6 1.00
     Exponent=  2.7032382631D+04 Coefficients=  2.1726302465D-04
     Exponent=  4.0523871392D+03 Coefficients=  1.6838662199D-03
     Exponent=  9.2232722710D+02 Coefficients=  8.7395616265D-03
     Exponent=  2.6124070989D+02 Coefficients=  3.5239968808D-02
     Exponent=  8.5354641351D+01 Coefficients=  1.1153519115D-01
     Exponent=  3.1035035245D+01 Coefficients=  2.5588953961D-01
 S 2 1.00
     Exponent=  1.2260860728D+01 Coefficients=  3.9768730901D-01
     Exponent=  4.9987076005D+00 Coefficients=  2.4627849430D-01
 S 1 1.00
     Exponent=  1.1703108158D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6474740994D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8504536357D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.0288026270D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  6.3274954801D+01 Coefficients=  6.0685103418D-03
     Exponent=  1.4627049379D+01 Coefficients=  4.1912575824D-02
     Exponent=  4.4501223456D+00 Coefficients=  1.6153841088D-01
     Exponent=  1.5275799647D+00 Coefficients=  3.5706951311D-01
 P 1 1.00
     Exponent=  5.2935117943D-01 Coefficients=  4.4794207502D-01
 P 1 1.00
     Exponent=  1.7478421270D-01 Coefficients=  2.4446069663D-01
 P 1 1.00
     Exponent=  5.1112745706D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3140000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.4500000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.4696477366D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.4280000000D+00 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   229 symmetry adapted cartesian basis functions of A   symmetry.
 There are   205 symmetry adapted basis functions of A   symmetry.
   205 basis functions,   301 primitive gaussians,   229 cartesian basis functions
    16 alpha electrons       16 beta electrons
       nuclear repulsion energy       124.8385457136 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   10 NActive=   10 NUniq=   10 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0093169038 Hartrees.
 Nuclear repulsion after empirical dispersion term =      124.8292288098 Hartrees.
 Leave Link  301 at Thu Jul 22 18:03:50 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   205 RedAO= T EigKep=  8.07D-06  NBF=   205
 NBsUse=   205 1.00D-06 EigRej= -1.00D+00 NBFU=   205
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   229   229   229   229   229 MxSgAt=    10 MxSgA2=    10.
 Leave Link  302 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "01_S_methyloxirane_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Keep R1 ints in memory in canonical form, NReq=231398260.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=  21115 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5414103548 LenY=  5414050666
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -193.199262234745    
 DIIS: error= 3.11D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -193.199262234745     IErMin= 1 ErrMin= 3.11D-03
 ErrMax= 3.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-03 BMatP= 1.50D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.11D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.321 Goal=   None    Shift=    0.000
 GapD=    0.321 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.65D-03 MaxDP=3.18D-01              OVMax= 2.26D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -193.200583969856     Delta-E=       -0.001321735110 Rises=F Damp=F
 DIIS: error= 1.74D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -193.200583969856     IErMin= 2 ErrMin= 1.74D-04
 ErrMax= 1.74D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-05 BMatP= 1.50D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.74D-03
 Coeff-Com: -0.883D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.881D-02 0.101D+01
 Gap=     0.288 Goal=   None    Shift=    0.000
 RMSDP=3.21D-04 MaxDP=1.71D-02 DE=-1.32D-03 OVMax= 2.66D-03

 Cycle   3  Pass 1  IDiag  1:
 E= -193.200570808022     Delta-E=        0.000013161834 Rises=F Damp=F
 DIIS: error= 3.55D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -193.200583969856     IErMin= 2 ErrMin= 1.74D-04
 ErrMax= 3.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.05D-05 BMatP= 1.31D-05
 IDIUse=3 WtCom= 3.47D-01 WtEn= 6.53D-01
 Coeff-Com: -0.120D-01 0.654D+00 0.358D+00
 Coeff-En:   0.000D+00 0.653D+00 0.347D+00
 Coeff:     -0.415D-02 0.654D+00 0.351D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=2.43D-05 MaxDP=7.02D-04 DE= 1.32D-05 OVMax= 1.46D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -193.200599600149     Delta-E=       -0.000028792127 Rises=F Damp=F
 DIIS: error= 1.95D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -193.200599600149     IErMin= 4 ErrMin= 1.95D-05
 ErrMax= 1.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-07 BMatP= 1.31D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.325D-02 0.138D+00 0.108D+00 0.757D+00
 Coeff:     -0.325D-02 0.138D+00 0.108D+00 0.757D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=9.92D-06 MaxDP=5.34D-04 DE=-2.88D-05 OVMax= 1.57D-04

 Cycle   5  Pass 1  IDiag  1:
 E= -193.200599759604     Delta-E=       -0.000000159455 Rises=F Damp=F
 DIIS: error= 1.83D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -193.200599759604     IErMin= 5 ErrMin= 1.83D-05
 ErrMax= 1.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.10D-08 BMatP= 2.69D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-03-0.279D-01 0.644D-02 0.403D+00 0.618D+00
 Coeff:      0.105D-03-0.279D-01 0.644D-02 0.403D+00 0.618D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=2.76D-06 MaxDP=6.45D-05 DE=-1.59D-07 OVMax= 6.58D-05

 Cycle   6  Pass 1  IDiag  1:
 E= -193.200599848369     Delta-E=       -0.000000088765 Rises=F Damp=F
 DIIS: error= 1.85D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -193.200599848369     IErMin= 6 ErrMin= 1.85D-06
 ErrMax= 1.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-09 BMatP= 9.10D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-03-0.122D-01 0.147D-02 0.109D+00 0.195D+00 0.707D+00
 Coeff:      0.104D-03-0.122D-01 0.147D-02 0.109D+00 0.195D+00 0.707D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.66D-07 MaxDP=9.38D-06 DE=-8.88D-08 OVMax= 1.08D-05

 Cycle   7  Pass 1  IDiag  1:
 E= -193.200599849270     Delta-E=       -0.000000000901 Rises=F Damp=F
 DIIS: error= 4.30D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -193.200599849270     IErMin= 7 ErrMin= 4.30D-07
 ErrMax= 4.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-10 BMatP= 1.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.430D-04-0.419D-02 0.507D-03 0.295D-01 0.579D-01 0.312D+00
 Coeff-Com:  0.604D+00
 Coeff:      0.430D-04-0.419D-02 0.507D-03 0.295D-01 0.579D-01 0.312D+00
 Coeff:      0.604D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=8.44D-08 MaxDP=4.58D-06 DE=-9.01D-10 OVMax= 4.45D-06

 Cycle   8  Pass 1  IDiag  1:
 E= -193.200599849363     Delta-E=       -0.000000000093 Rises=F Damp=F
 DIIS: error= 1.63D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -193.200599849363     IErMin= 8 ErrMin= 1.63D-07
 ErrMax= 1.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-11 BMatP= 1.09D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D-05 0.840D-04 0.270D-04-0.356D-02-0.387D-02 0.276D-01
 Coeff-Com:  0.267D+00 0.713D+00
 Coeff:      0.201D-05 0.840D-04 0.270D-04-0.356D-02-0.387D-02 0.276D-01
 Coeff:      0.267D+00 0.713D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.89D-08 MaxDP=1.76D-06 DE=-9.30D-11 OVMax= 1.38D-06

 Cycle   9  Pass 1  IDiag  1:
 E= -193.200599849374     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 3.58D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -193.200599849374     IErMin= 9 ErrMin= 3.58D-08
 ErrMax= 3.58D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.17D-13 BMatP= 1.17D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.977D-06 0.209D-03-0.307D-04-0.261D-02-0.382D-02-0.878D-03
 Coeff-Com:  0.824D-01 0.291D+00 0.634D+00
 Coeff:     -0.977D-06 0.209D-03-0.307D-04-0.261D-02-0.382D-02-0.878D-03
 Coeff:      0.824D-01 0.291D+00 0.634D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=7.07D-09 MaxDP=2.89D-07 DE=-1.12D-11 OVMax= 1.93D-07

 SCF Done:  E(RB3LYP) =  -193.200599849     A.U. after    9 cycles
            NFock=  9  Conv=0.71D-08     -V/T= 2.0051
 KE= 1.922133452482D+02 PE=-7.004187991222D+02 EE= 1.901756252148D+02
 Leave Link  502 at Thu Jul 22 18:04:02 2021, MaxMem=  5637144576 cpu:              69.4 elap:              10.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   205
 NBasis=   205 NAE=    16 NBE=    16 NFC=     0 NFV=     0
 NROrb=    205 NOA=    16 NOB=    16 NVA=   189 NVB=   189

 **** Warning!!: The largest alpha MO coefficient is  0.89938657D+02

 Leave Link  801 at Thu Jul 22 18:04:02 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3030 words used for storage of precomputed grid.
 Keep R1 and R3 ints in memory in canonical form, NReq=457810715.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=  21115 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          Doing perturbations at frequencies    0.085645
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 5.04D-14 8.33D-09 XBig12= 1.00D+00 2.45D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 5.04D-14 8.33D-09 XBig12= 3.52D-01 9.10D-02.
     11 vectors produced by pass  2 Test12= 5.04D-14 8.33D-09 XBig12= 3.93D-02 4.94D-02.
     11 vectors produced by pass  3 Test12= 5.04D-14 8.33D-09 XBig12= 8.49D-04 6.24D-03.
     11 vectors produced by pass  4 Test12= 5.04D-14 8.33D-09 XBig12= 9.04D-06 5.49D-04.
     11 vectors produced by pass  5 Test12= 5.04D-14 8.33D-09 XBig12= 6.30D-08 4.60D-05.
     11 vectors produced by pass  6 Test12= 5.04D-14 8.33D-09 XBig12= 3.03D-10 3.68D-06.
      8 vectors produced by pass  7 Test12= 5.04D-14 8.33D-09 XBig12= 1.23D-12 1.85D-07.
      2 vectors produced by pass  8 Test12= 5.04D-14 8.33D-09 XBig12= 4.33D-15 9.45D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension    87 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.482566D+02
      2 -0.246565D+01  0.394829D+02
      3  0.731148D+00 -0.618736D+00  0.393890D+02
 Isotropic polarizability for W=    0.085645       42.38 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.240060D+02 -0.133484D-01  0.272703D+01
      2  -0.142583D+02  0.450383D+01 -0.751202D+01
      3  -0.974773D+01 -0.449048D+01  0.478499D+01
      4   0.177549D+02  0.690767D+01 -0.133533D+01
      5   0.484531D+01  0.190826D+00  0.131363D+02
      6  -0.182129D+01 -0.470154D+01  0.140176D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.821585D+00  0.798007D+00 -0.627808D+01
      2  -0.431944D+01  0.746677D+00  0.705439D+01
      3   0.368902D+01 -0.622385D+01 -0.153321D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.152616D+01  0.281048D+01 -0.185081D+02
      2  -0.211827D+01  0.485953D+00  0.228841D+02
      3   0.177683D+02 -0.211659D+02 -0.201211D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.117287D-01  0.966884D+00  0.554786D+00
      2   0.966884D+00 -0.234326D+00  0.713258D-02
      3   0.554786D+00  0.713258D-02  0.281103D+00
 OR G Eigenvalues:    -1.1918     0.1408     1.0860  Iso=    -0.0117
 Eigenvectors:
   (1)  -0.681598   0.686443   0.253416
   (2)  -0.204512  -0.511236   0.834753
   (3)   0.702566   0.517140   0.488843
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0117 au.
 Molar Mass =     58.0798 grams/mole, [Alpha] ( 5320.0 A) =       -9.54 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21115 ScalPx= 3.56D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.99D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 8.40D-15 2.78D-09 XBig12= 1.00D+00 4.13D-01.
     30 vectors produced by pass  1 Test12= 8.40D-15 2.78D-09 XBig12= 2.74D-02 3.03D-02.
     30 vectors produced by pass  2 Test12= 8.40D-15 2.78D-09 XBig12= 2.81D-04 2.07D-03.
     30 vectors produced by pass  3 Test12= 8.40D-15 2.78D-09 XBig12= 1.39D-06 1.58D-04.
     30 vectors produced by pass  4 Test12= 8.40D-15 2.78D-09 XBig12= 2.81D-09 6.95D-06.
     30 vectors produced by pass  5 Test12= 8.40D-15 2.78D-09 XBig12= 4.38D-12 3.57D-07.
      3 vectors produced by pass  6 Test12= 8.40D-15 2.78D-09 XBig12= 4.93D-15 1.40D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   183 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 1.32D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 1.32D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.01D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.482566D+02 -0.246565D+01  0.731148D+00
      2  -0.246565D+01  0.394829D+02 -0.618736D+00
      3   0.731148D+00 -0.618736D+00  0.393890D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.821585D+00  0.798007D+00 -0.627808D+01
      2  -0.431944D+01  0.746677D+00  0.705439D+01
      3   0.368902D+01 -0.622385D+01 -0.153321D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.240060D+02 -0.133484D-01  0.272703D+01
      2  -0.142583D+02  0.450383D+01 -0.751202D+01
      3  -0.974773D+01 -0.449048D+01  0.478499D+01
      4   0.177549D+02  0.690767D+01 -0.133533D+01
      5   0.484531D+01  0.190826D+00  0.131363D+02
      6  -0.182129D+01 -0.470154D+01  0.140176D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.400688D+01  0.118392D+01 -0.438878D+01  0.333511D-04 -0.885105D+00
      2   0.118392D+01 -0.403873D+00  0.204205D+01 -0.885105D+00  0.503859D+01
      3  -0.438878D+01  0.204205D+01 -0.130989D+00  0.105624D+01  0.234507D+01
                 6             7             8             9            10 
      1   0.105624D+01 -0.666843D+01  0.222886D+01  0.464249D+00  0.671916D+01
      2   0.234507D+01  0.222886D+01  0.239709D+01 -0.271203D+01 -0.132405D+01
      3  -0.237798D+01  0.464249D+00 -0.271203D+01  0.156409D+01  0.335100D+01
                11            12            13            14            15 
      1  -0.132405D+01  0.335100D+01 -0.166695D+01  0.461830D+01  0.431558D+00
      2   0.257037D+01  0.123323D+00  0.461830D+01 -0.195481D+00  0.129029D+01
      3   0.123323D+00 -0.200541D+00  0.431558D+00  0.129029D+01  0.128014D+01
                16            17            18            19            20 
      1   0.468723D+01  0.751503D+00  0.751701D+00 -0.379485D+01 -0.363604D+01
      2   0.751503D+00  0.114550D+01  0.172007D+01 -0.363604D+01 -0.927228D+00
      3   0.751701D+00  0.172007D+01 -0.792078D+01 -0.123597D+01 -0.268993D+00
                21            22            23            24            25 
      1  -0.123597D+01 -0.190712D+01 -0.289896D+01 -0.768412D+00 -0.176484D+01
      2  -0.268993D+00 -0.289896D+01 -0.901669D+01 -0.182727D+01 -0.129098D+01
      3   0.356409D+00 -0.768412D+00 -0.182727D+01 -0.536959D+00 -0.133731D+01
                26            27            28            29            30 
      1  -0.129098D+01 -0.133731D+01 -0.244784D+00  0.941985D+00 -0.323624D+00
      2  -0.152004D+01 -0.223907D+01  0.941985D+00 -0.367145D-01 -0.471867D+00
      3  -0.223907D+01 -0.132384D+01 -0.323624D+00 -0.471867D+00  0.237215D+00
                31            32            33            34            35 
      1   0.124994D+01 -0.750401D+00  0.370154D+00 -0.951468D+00  0.287506D+00
      2  -0.750401D+00  0.343973D+01 -0.288639D+01  0.287506D+00 -0.334678D+01
      3   0.370154D+00 -0.288639D+01  0.273258D+01 -0.747964D+00  0.328320D+01
                36            37            38            39            40 
      1  -0.747964D+00 -0.679590D+01  0.234895D+01  0.288554D+01  0.201344D+01
      2   0.328320D+01  0.234895D+01 -0.193851D+01 -0.102991D+01 -0.193790D+01
      3  -0.518744D+01  0.288554D+01 -0.102991D+01 -0.225485D+01 -0.721648D+00
                41            42            43            44            45 
      1  -0.193790D+01 -0.721648D+00  0.430839D+01 -0.142999D+01 -0.263615D+01
      2   0.135521D+01  0.629643D+00 -0.142999D+01  0.839884D+00  0.159224D+01
      3   0.629643D+00  0.931276D+00 -0.263615D+01  0.159224D+01  0.272110D+01
                46            47            48            49            50 
      1   0.750530D+00 -0.939464D-01  0.120931D+01 -0.190048D+00 -0.368082D+00
      2  -0.939464D-01 -0.158316D+00 -0.723893D-01 -0.368082D+00 -0.741627D+00
      3   0.120931D+01 -0.723893D-01  0.209703D+00 -0.406087D-01  0.121058D+01
                51            52            53            54            55 
      1  -0.406087D-01  0.159372D+01 -0.205939D+00  0.427702D+00 -0.207577D+01
      2   0.121058D+01 -0.205939D+00  0.127504D+01 -0.145420D+01  0.870220D+00
      3  -0.154382D+01  0.427702D+00 -0.145420D+01  0.107848D+02 -0.256036D+01
                56            57            58            59            60 
      1   0.870220D+00 -0.256036D+01  0.115938D+01 -0.614241D+01 -0.135624D+01
      2  -0.494241D+01 -0.119212D+01 -0.614241D+01  0.143883D+01 -0.164587D+01
      3  -0.119212D+01  0.655182D+00 -0.135624D+01 -0.164587D+01 -0.253564D+01
                61            62            63            64            65 
      1  -0.286632D+01 -0.135332D+01 -0.454470D+00  0.171782D-01  0.150283D+00
      2  -0.135332D+01 -0.191269D+01 -0.225432D+01  0.150283D+00  0.390744D+00
      3  -0.454470D+00 -0.225432D+01  0.627327D+01 -0.598260D+00  0.122545D+00
                66            67            68            69            70 
      1  -0.598260D+00  0.399705D+00  0.858737D+00 -0.116048D+00 -0.197803D+01
      2   0.122545D+00  0.858737D+00  0.513495D+00 -0.972818D+00 -0.749387D-01
      3  -0.531736D+00 -0.116048D+00 -0.972818D+00  0.128824D+01  0.114462D+01
                71            72            73            74            75 
      1  -0.749387D-01  0.114462D+01  0.476013D+01 -0.263469D+01  0.354852D+00
      2  -0.135059D+01  0.121360D+01 -0.263469D+01  0.301579D+01 -0.172629D-01
      3   0.121360D+01 -0.804631D+01  0.354852D+00 -0.172629D-01  0.668522D+00
                76            77            78            79            80 
      1  -0.468732D+01  0.411127D+01  0.148003D+00  0.949272D+00 -0.608505D-01
      2   0.411127D+01 -0.585652D+01  0.364621D+00 -0.608505D-01  0.636990D+00
      3   0.148003D+00  0.364621D+00 -0.992162D+00  0.927878D+00 -0.681961D+00
                81            82            83            84            85 
      1   0.927878D+00  0.467120D+01  0.219337D+01  0.130629D+01  0.362893D+01
      2  -0.681961D+00  0.219337D+01  0.243015D+01  0.764620D+00  0.339456D+01
      3  -0.276102D+00  0.130629D+01  0.764620D+00  0.991081D+00  0.997003D+00
                86            87            88            89            90 
      1   0.339456D+01  0.997003D+00  0.269048D+01  0.114815D+01  0.145974D+01
      2   0.402446D+01  0.149214D+01  0.114815D+01  0.183560D+01  0.153247D+01
      3   0.149214D+01  0.175432D+01  0.145974D+01  0.153247D+01  0.141118D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.669927D+01 -0.259213D+01 -0.251838D+00 -0.250632D+01 -0.143120D+01
      2   0.710119D+01 -0.411517D+01  0.194694D+01 -0.230156D+01 -0.196033D+01
      3   0.753775D+00 -0.406145D+01 -0.125708D+01  0.659974D+00  0.295656D+01
                 6             7             8             9            10 
      1   0.219917D+01 -0.332236D+01  0.583628D+01 -0.180340D+01 -0.238658D+01
      2   0.422519D+01 -0.201102D+01  0.456400D+01  0.849700D-01 -0.262052D+01
      3   0.429993D+01 -0.382337D+01  0.491192D+01 -0.268753D+01  0.921558D+00
                11            12            13            14            15 
      1   0.233946D+01 -0.217648D+00  0.258253D+01 -0.789003D+00 -0.223228D+01
      2   0.128416D+01 -0.182949D+01  0.211541D+01 -0.195699D+01 -0.616363D+00
      3  -0.189785D+01  0.187065D+00  0.546653D+01  0.997320D+00 -0.240801D+00
                16            17            18            19            20 
      1   0.909330D+00  0.565366D+00  0.193738D+01 -0.192725D+01 -0.689204D+00
      2  -0.856666D+01  0.558875D+00 -0.469715D+01  0.183956D+01  0.126633D+01
      3   0.114053D+01 -0.907256D+00 -0.480981D+00  0.177657D+01 -0.316262D+01
                21            22            23            24            25 
      1  -0.271216D+01 -0.128726D+01  0.272196D+01 -0.833553D+01 -0.134070D+01
      2   0.454958D+01 -0.168521D+01  0.240816D+01  0.264339D+01 -0.309116D+01
      3   0.251919D+00  0.886735D+01 -0.961790D+01 -0.151217D+01  0.290136D+01
                26            27            28            29            30 
      1   0.310018D+01 -0.236980D+01  0.222643D+00  0.571563D+00 -0.250598D+00
      2   0.187875D+01  0.214313D+01  0.108537D+01  0.346708D+00  0.276127D+00
      3  -0.104913D+01 -0.400143D+00  0.127693D+01  0.170336D+00 -0.506842D+00
                31            32            33            34            35 
      1  -0.304660D+00  0.860432D+00 -0.366071D+01  0.397779D+00 -0.448280D+00
      2   0.861551D+00  0.348256D+01 -0.349668D+01 -0.203072D+01 -0.383476D+01
      3   0.200885D+01  0.412593D+01 -0.313778D+01 -0.179879D+01 -0.398364D+01
                36            37            38            39            40 
      1   0.608390D+01 -0.322922D+01 -0.231137D+00  0.299009D+01  0.552035D+00
      2   0.625806D+01 -0.233316D+01  0.135258D+01  0.497943D+01  0.622006D+00
      3   0.411041D+01 -0.327280D+01 -0.289429D+01  0.111710D+01  0.344789D+00
                41            42            43            44            45 
      1  -0.413458D+00 -0.170358D+01  0.282947D+01 -0.424946D+00 -0.335766D+01
      2  -0.103788D+01 -0.206353D+01  0.124890D+01 -0.183653D+01 -0.441285D+01
      3   0.925093D+00  0.373179D+00  0.255046D+01  0.823502D+00 -0.470941D+00
                46            47            48            49            50 
      1   0.666292D-01  0.155575D+00  0.596559D+00 -0.417938D+00 -0.943312D+00
      2  -0.103717D+00 -0.109860D+00  0.283229D+00  0.666519D+00  0.900699D+00
      3   0.103217D-01 -0.958029D+00  0.920743D-01  0.917272D+00 -0.151956D+00
                51            52            53            54            55 
      1   0.384449D+00 -0.461093D-01  0.442343D+01 -0.120549D+01  0.637553D+00
      2  -0.290201D+00 -0.447764D+01 -0.134097D+00  0.291882D+01 -0.520033D+01
      3  -0.275735D+00 -0.661860D+00 -0.379931D+00 -0.300287D+00 -0.881037D+00
                56            57            58            59            60 
      1   0.117380D+01  0.808132D-01  0.224405D+01 -0.251886D+00 -0.617747D+00
      2  -0.179220D+01  0.274132D+01 -0.215196D+01 -0.401408D+01 -0.423641D+01
      3   0.740001D+01  0.211239D+01  0.148910D+02 -0.351645D+01  0.261572D+01
                61            62            63            64            65 
      1  -0.117943D+00  0.254477D+01  0.400483D+00  0.117914D-01  0.195186D+00
      2  -0.461521D+01 -0.392440D+01  0.934535D+01 -0.189365D+01  0.139599D+00
      3   0.163865D+01  0.309452D+01  0.410605D+01 -0.392009D+00 -0.101978D+01
                66            67            68            69            70 
      1  -0.761687D-01  0.943486D-01 -0.350452D+00 -0.903714D+00 -0.244716D+00
      2   0.593722D+00  0.418491D+00 -0.122757D+01  0.258363D+01 -0.170491D+01
      3  -0.319590D+00 -0.796492D-01 -0.623573D+00  0.150347D+01 -0.576850D+00
                71            72            73            74            75 
      1   0.289711D+01  0.898112D+00  0.558922D+00 -0.708382D+00  0.874946D+00
      2   0.245219D+01 -0.139987D+02  0.501250D+00 -0.321836D+00  0.272010D+01
      3   0.252675D+01 -0.231487D+01  0.437807D+01 -0.724286D+01 -0.233444D-01
                76            77            78            79            80 
      1  -0.776808D+00  0.111027D+01 -0.231598D+01  0.298143D+00  0.709020D+00
      2   0.720329D-01  0.907086D+00 -0.306812D+01  0.474466D+00 -0.940584D+00
      3  -0.511734D+01  0.112456D+02 -0.663060D+00 -0.263435D+00 -0.118404D+01
                81            82            83            84            85 
      1   0.100643D+00 -0.653759D+00 -0.214735D+00 -0.103399D+01 -0.545532D+00
      2  -0.592938D+00  0.198955D+01  0.164040D+01  0.343344D+01  0.138273D+01
      3   0.802774D+00 -0.333866D+01 -0.607485D+01 -0.134425D+01 -0.383077D+01
                86            87            88            89            90 
      1  -0.204050D+00 -0.250847D+01 -0.595605D+00  0.538456D+00 -0.993595D+00
      2   0.249835D+01  0.431910D+01  0.645909D+00  0.244918D+01  0.258558D+01
      3  -0.757320D+01 -0.259703D+01 -0.110670D+01 -0.385268D+01 -0.236449D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.153658D+00  0.164408D+00  0.101812D+02  0.747353D+01  0.997882D+00
      2   0.123417D+01 -0.712144D-01 -0.546822D+01 -0.680268D+01  0.393733D+01
      3  -0.138783D+01 -0.931936D-01 -0.471297D+01 -0.670845D+00 -0.493522D+01
      4   0.235877D+01 -0.989793D+00 -0.938366D+01 -0.258490D+01 -0.558760D+01
      5   0.171045D+02 -0.725166D+01 -0.250208D+01 -0.429683D+01 -0.179689D+01
      6  -0.770610D+01  0.353856D+01  0.355001D+01  0.402233D+01  0.867348D+01
                 6             7             8             9            10 
      1  -0.104789D+02  0.131212D+02 -0.970818D+01  0.229505D+01 -0.114496D+02
      2   0.656399D+01 -0.677233D+01  0.723057D+01 -0.258894D+01  0.334348D+01
      3   0.391495D+01 -0.634889D+01  0.247761D+01  0.293898D+00  0.810616D+01
      4   0.399205D+00 -0.816511D+01 -0.164916D+01  0.605466D+01  0.485069D+00
      5   0.111650D+02 -0.288316D+01  0.624593D+01  0.994961D+00  0.748802D+00
      6  -0.121596D+02  0.300491D+01 -0.807720D+01  0.524365D+01  0.125592D+01
                11            12            13            14            15 
      1  -0.156328D+01  0.471619D+01 -0.203080D+00 -0.130033D+01  0.118592D+01
      2   0.800936D+00 -0.563761D-01 -0.104369D+01  0.186916D+01 -0.157443D+01
      3   0.762343D+00 -0.465981D+01  0.124677D+01 -0.568831D+00  0.388508D+00
      4  -0.666679D+01  0.207022D+01  0.352749D+00 -0.297160D+01 -0.116378D+01
      5   0.115990D+01 -0.867368D+01  0.184141D+01 -0.828181D+00 -0.758952D+00
      6   0.736096D-01  0.839746D+00  0.132503D+01 -0.501972D+00  0.295590D+01
                16            17            18            19            20 
      1   0.618644D+00 -0.246229D+01  0.139182D+02  0.700819D+01  0.591323D+01
      2  -0.893051D+00  0.208460D+00  0.704797D+01 -0.317063D+00 -0.223383D+01
      3   0.274407D+00  0.225383D+01 -0.209661D+02 -0.669113D+01 -0.367941D+01
      4   0.158637D+01 -0.151759D+01  0.194512D+01  0.107663D+02  0.142532D+02
      5   0.105650D+01  0.828228D+00 -0.599382D+01  0.226984D+01  0.291021D+01
      6   0.455875D+00  0.129977D+00  0.504832D+01  0.318375D+01  0.135247D+01
                21            22            23            24            25 
      1  -0.227575D+01  0.108796D+01 -0.111278D+02 -0.196959D+01  0.104524D+01
      2  -0.231273D+01  0.299454D+01  0.191625D+02 -0.198903D+01 -0.593280D+00
      3   0.458847D+01 -0.408250D+01 -0.803467D+01  0.395863D+01 -0.451956D+00
      4   0.314142D+01  0.142209D+02  0.185913D+02  0.120005D+01  0.261242D+01
      5   0.911639D+01  0.365321D+01  0.800035D+00  0.120147D+01  0.518478D+01
      6   0.838590D+00 -0.160661D+01  0.295923D+01  0.124981D+02  0.270980D+01
                26            27            28            29            30 
      1  -0.188638D+01 -0.709223D+01  0.942183D+00 -0.277979D+01  0.125525D+01
      2   0.958725D-01 -0.391762D+00 -0.313435D+00  0.156202D+01 -0.263456D+00
      3   0.179051D+01  0.748399D+01 -0.628748D+00  0.121777D+01 -0.991792D+00
      4   0.418785D+01  0.515468D+01 -0.219054D+01  0.372471D+01 -0.130513D+01
      5   0.494044D+01  0.528137D+01 -0.412927D+00 -0.897590D+00  0.375195D+01
      6   0.936540D+01  0.604345D+01 -0.185837D+01 -0.118658D+01  0.844587D-01
                31            32            33            34            35 
      1  -0.188826D+01 -0.872368D+01  0.687471D+01  0.497566D+00  0.847054D+01
      2   0.797262D+00  0.104436D+02 -0.570685D+01 -0.689988D+00 -0.602388D+01
      3   0.109100D+01 -0.171991D+01 -0.116786D+01  0.192422D+00 -0.244667D+01
      4   0.510856D+01 -0.617017D+01  0.484088D+01 -0.313512D+01  0.570821D+01
      5  -0.247437D+01  0.582482D+01 -0.637241D+01  0.505366D+01 -0.690215D+01
      6   0.125879D+01 -0.120857D+02  0.114388D+02 -0.221417D+01  0.129888D+02
                36            37            38            39            40 
      1  -0.104208D+02  0.259278D+02 -0.543123D+01 -0.843169D+01 -0.476958D+01
      2   0.735917D+00 -0.127810D+02  0.576111D+00  0.538299D+01 -0.147643D+00
      3   0.968486D+01 -0.131468D+02  0.485511D+01  0.304871D+01  0.491722D+01
      4  -0.554724D+01 -0.161668D+02  0.109572D+02  0.651767D+01  0.105146D+02
      5   0.113986D+02 -0.149338D+02  0.521102D+01  0.113944D+02  0.338290D+01
      6  -0.157464D+02  0.694704D+01 -0.363037D+01 -0.548842D+01 -0.367209D+01
                41            42            43            44            45 
      1   0.299443D+01  0.999433D+00 -0.112014D+02  0.269473D+01  0.350991D+01
      2   0.959952D+00  0.515143D+00  0.751597D+01 -0.105440D+01 -0.549163D+01
      3  -0.395438D+01 -0.151458D+01  0.368547D+01 -0.164033D+01  0.198172D+01
      4  -0.723821D+01 -0.420813D+01  0.846621D+01 -0.532069D+01 -0.690639D+01
      5  -0.371237D+01 -0.371546D+01  0.136261D+02 -0.613644D+01 -0.120265D+02
      6   0.309403D+01  0.500512D+01 -0.597187D+01  0.584962D+01  0.557821D+01
                46            47            48            49            50 
      1   0.587522D+00 -0.105869D+00  0.218064D+00 -0.330597D+00 -0.427332D+01
      2  -0.332602D+01  0.183592D-01 -0.763114D-01  0.535981D+00  0.422875D+00
      3   0.273850D+01  0.875093D-01 -0.141752D+00 -0.205384D+00  0.385045D+01
      4  -0.262001D+00  0.240457D+01 -0.844265D+00  0.173395D+01 -0.424926D+00
      5   0.774570D+00 -0.980833D+00  0.849398D+01 -0.109457D+01  0.111093D+01
      6  -0.953596D+00 -0.891846D-01  0.360110D-01 -0.246228D-01 -0.273833D+01
                51            52            53            54            55 
      1   0.401110D+01 -0.525556D+00  0.358121D+01 -0.247981D+02  0.236068D+01
      2   0.553892D+00 -0.128048D+01  0.375811D+00 -0.146111D+02 -0.486216D+01
      3  -0.456499D+01  0.180603D+01 -0.395702D+01  0.394091D+02  0.250147D+01
      4   0.802183D+00 -0.350215D+00  0.384062D+00 -0.914260D+00  0.275233D+01
      5  -0.965608D+00  0.570364D+01 -0.763540D+00  0.409628D+01 -0.114817D+02
      6   0.769864D+01 -0.791941D+00  0.669088D+01 -0.622773D+01 -0.286402D+01
                56            57            58            59            60 
      1   0.234169D+01 -0.850474D+01  0.212616D+01 -0.153291D+02 -0.379054D+01
      2   0.226242D+00  0.352332D+01  0.490138D+00  0.240505D+01  0.354271D+00
      3  -0.256794D+01  0.498141D+01 -0.261630D+01  0.129240D+02  0.343627D+01
      4  -0.188130D+02 -0.476653D+01 -0.259687D+02  0.557311D+01 -0.735210D+01
      5  -0.449375D+01  0.143835D+01 -0.608976D+01 -0.689845D+01 -0.753665D+01
      6  -0.141974D+01 -0.646611D+00 -0.179154D+01 -0.319067D+01 -0.216103D+01
                61            62            63            64            65 
      1  -0.100085D+02 -0.463643D+01  0.664704D+01  0.280940D+00  0.400077D+00
      2   0.285258D+01 -0.323117D+00  0.198232D+01 -0.176415D+01 -0.438094D+00
      3   0.715591D+01  0.495954D+01 -0.862936D+01  0.148321D+01  0.380173D-01
      4  -0.635387D+01 -0.775539D+01 -0.773437D+01  0.112650D+00  0.283075D+01
      5  -0.973317D+00 -0.734066D+01  0.136966D+02 -0.126704D+01 -0.424391D+00
      6  -0.164079D+01 -0.151174D+01  0.203304D+01 -0.781127D+00  0.623131D+00
                66            67            68            69            70 
      1  -0.295886D+01  0.855476D+00 -0.794107D+00  0.222287D+01 -0.442169D+01
      2   0.130488D+01 -0.765507D+00  0.676445D+00 -0.127000D+00  0.411667D+01
      3   0.165399D+01 -0.899690D-01  0.117661D+00 -0.209587D+01  0.305020D+00
      4  -0.626241D+00  0.447539D+01  0.133264D+01 -0.255904D+01 -0.122376D+01
      5   0.479262D+01 -0.833997D+00 -0.225440D+01  0.422630D+01  0.718679D+01
      6   0.358092D+00 -0.465738D+00 -0.207051D+01  0.581840D+01  0.889668D+00
                71            72            73            74            75 
      1   0.250442D+01 -0.120309D+02  0.198411D+02 -0.104165D+02  0.142448D+01
      2  -0.199210D+00 -0.954792D+01 -0.672133D+01  0.293326D+01 -0.403941D+00
      3  -0.230521D+01  0.215788D+02 -0.131198D+02  0.748322D+01 -0.102054D+01
      4  -0.437736D+01  0.438322D+01 -0.145018D+02  0.166146D+02 -0.233249D+00
      5   0.379167D+01 -0.236562D+02  0.105519D+01 -0.108966D-01  0.478361D+01
      6   0.535512D+01 -0.552724D+01  0.391984D+00 -0.282040D+00 -0.101409D+01
                76            77            78            79            80 
      1  -0.137371D+02  0.654914D+01 -0.284410D+00  0.263032D+01  0.460916D+00
      2   0.235187D+01  0.658002D+01 -0.234384D+00 -0.883704D+00 -0.420979D+00
      3   0.113852D+02 -0.131292D+02  0.518794D+00 -0.174661D+01 -0.399369D-01
      4   0.212061D+02 -0.249052D+02  0.184115D+01 -0.426007D+00  0.235632D+01
      5   0.464834D+00  0.151988D+01 -0.508407D+01  0.568971D+01 -0.374098D+01
      6  -0.709605D+00  0.101858D+01  0.372428D+01 -0.205910D+01  0.398712D+01
                81            82            83            84            85 
      1   0.690703D+00  0.186897D+02  0.818971D+01  0.535074D+01  0.110292D+02
      2  -0.936183D+00 -0.666359D+01 -0.173003D+01 -0.211759D+01 -0.169780D+01
      3   0.245480D+00 -0.120261D+02 -0.645967D+01 -0.323315D+01 -0.933145D+01
      4  -0.315081D+01  0.141803D+02  0.151675D+02  0.481104D+01  0.191980D+02
      5  -0.223939D+00  0.687370D+01  0.415927D+01  0.679345D+01  0.544716D+01
      6  -0.116815D+01  0.238452D+01  0.102015D+01  0.144222D+01  0.239521D+01
                86            87            88            89            90 
      1   0.468491D+01  0.164194D+01  0.775676D+01  0.139395D+01  0.102182D+01
      2   0.618697D+01  0.819417D+00 -0.385982D+01  0.523358D+00 -0.245799D+01
      3  -0.108719D+02 -0.246136D+01 -0.389694D+01 -0.191730D+01  0.143618D+01
      4   0.193350D+02  0.693073D+01  0.698908D+01  0.798374D+01  0.671537D+01
      5   0.623463D+01  0.784036D+01  0.861189D+01  0.661185D+01  0.716374D+01
      6   0.422316D+01  0.457042D+01  0.315196D+01  0.470493D+01  0.410407D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 18:06:53 2021, MaxMem=  5637144576 cpu:            1361.0 elap:             170.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14010 -10.23097 -10.22295 -10.17244  -1.07526
 Alpha  occ. eigenvalues --   -0.75242  -0.66628  -0.60140  -0.51399  -0.47509
 Alpha  occ. eigenvalues --   -0.43326  -0.41056  -0.38192  -0.37354  -0.30987
 Alpha  occ. eigenvalues --   -0.27792
 Alpha virt. eigenvalues --    0.00804   0.02751   0.02948   0.03931   0.06731
 Alpha virt. eigenvalues --    0.07578   0.07914   0.08520   0.10024   0.11248
 Alpha virt. eigenvalues --    0.12003   0.12798   0.13443   0.14929   0.16899
 Alpha virt. eigenvalues --    0.18172   0.20461   0.21614   0.21702   0.22537
 Alpha virt. eigenvalues --    0.23231   0.23515   0.24490   0.25499   0.25809
 Alpha virt. eigenvalues --    0.27179   0.27238   0.27859   0.28868   0.29898
 Alpha virt. eigenvalues --    0.30835   0.31383   0.32299   0.33409   0.34903
 Alpha virt. eigenvalues --    0.35835   0.36943   0.37483   0.37860   0.38874
 Alpha virt. eigenvalues --    0.39092   0.40799   0.41562   0.42054   0.42578
 Alpha virt. eigenvalues --    0.43861   0.44583   0.44665   0.45263   0.47774
 Alpha virt. eigenvalues --    0.51244   0.53179   0.54005   0.56300   0.57488
 Alpha virt. eigenvalues --    0.58367   0.61335   0.63800   0.65445   0.66787
 Alpha virt. eigenvalues --    0.67439   0.67745   0.68320   0.69779   0.70286
 Alpha virt. eigenvalues --    0.71056   0.72159   0.72692   0.74833   0.75614
 Alpha virt. eigenvalues --    0.76142   0.78647   0.85740   0.88084   0.89324
 Alpha virt. eigenvalues --    0.91501   0.96778   0.99770   1.03802   1.06448
 Alpha virt. eigenvalues --    1.08090   1.12649   1.14866   1.17080   1.19833
 Alpha virt. eigenvalues --    1.23483   1.26314   1.26560   1.31903   1.33743
 Alpha virt. eigenvalues --    1.38848   1.42190   1.61711   1.68635   1.73263
 Alpha virt. eigenvalues --    1.75222   1.77538   1.78485   1.80263   1.81732
 Alpha virt. eigenvalues --    1.83098   1.83941   1.86487   1.90409   1.90648
 Alpha virt. eigenvalues --    1.95026   1.96185   2.03801   2.08613   2.14911
 Alpha virt. eigenvalues --    2.16999   2.20449   2.24406   2.30574   2.35530
 Alpha virt. eigenvalues --    2.37513   2.39843   2.41456   2.46006   2.49440
 Alpha virt. eigenvalues --    2.50574   2.52505   2.55085   2.64074   2.66639
 Alpha virt. eigenvalues --    2.68568   2.70843   2.72067   2.77054   2.78734
 Alpha virt. eigenvalues --    2.82780   2.86591   2.89216   2.92127   2.97655
 Alpha virt. eigenvalues --    2.99239   3.08704   3.12785   3.17981   3.20726
 Alpha virt. eigenvalues --    3.21329   3.22338   3.23723   3.25583   3.33630
 Alpha virt. eigenvalues --    3.34334   3.39358   3.44644   3.46684   3.49927
 Alpha virt. eigenvalues --    3.53938   3.57510   3.61013   3.61614   3.73741
 Alpha virt. eigenvalues --    3.75027   3.80586   3.94528   4.00468   4.04022
 Alpha virt. eigenvalues --    4.10702   4.14833   4.26597   4.35039   4.41017
 Alpha virt. eigenvalues --    4.46157   4.48995   4.57528   4.67151   4.75693
 Alpha virt. eigenvalues --    4.83950   4.93050   4.99623   5.31437   5.49009
 Alpha virt. eigenvalues --    5.76116   5.82628   5.87243   6.04559   6.15773
 Alpha virt. eigenvalues --    6.70569   6.76083   6.85832   7.16681   7.41753
 Alpha virt. eigenvalues --   22.45658  22.56230  22.68589  44.24807
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.804576  -0.229338   0.011525   0.402567   0.400104  -0.077597
     2  C   -0.229338   5.649478  -0.014842  -0.008851  -0.013785   0.401099
     3  O    0.011525  -0.014842   8.442341  -0.000932  -0.012940  -0.034453
     4  H    0.402567  -0.008851  -0.000932   0.402657   0.001123  -0.004581
     5  H    0.400104  -0.013785  -0.012940   0.001123   0.394272   0.005450
     6  H   -0.077597   0.401099  -0.034453  -0.004581   0.005450   0.530546
     7  C    0.078338  -0.151698   0.045138   0.002545   0.002518  -0.079142
     8  H   -0.047001  -0.001852   0.013248  -0.000376  -0.003400  -0.008601
     9  H    0.022829  -0.044479   0.002123  -0.002160   0.001832  -0.006048
    10  H    0.019881  -0.002033  -0.006477  -0.002558   0.001788  -0.002767
               7          8          9         10
     1  C    0.078338  -0.047001   0.022829   0.019881
     2  C   -0.151698  -0.001852  -0.044479  -0.002033
     3  O    0.045138   0.013248   0.002123  -0.006477
     4  H    0.002545  -0.000376  -0.002160  -0.002558
     5  H    0.002518  -0.003400   0.001832   0.001788
     6  H   -0.079142  -0.008601  -0.006048  -0.002767
     7  C    6.082293   0.387503   0.396735   0.350106
     8  H    0.387503   0.348203   0.011131   0.012181
     9  H    0.396735   0.011131   0.337086   0.023646
    10  H    0.350106   0.012181   0.023646   0.333549
 Mulliken charges:
               1
     1  C   -0.385884
     2  C    0.416301
     3  O   -0.444732
     4  H    0.210567
     5  H    0.223039
     6  H    0.276094
     7  C   -1.114336
     8  H    0.288963
     9  H    0.257304
    10  H    0.272684
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.047722
     2  C    0.692395
     3  O   -0.444732
     7  C   -0.295385
 Electronic spatial extent (au):  <R**2>=            267.6476
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8732    Y=              1.6749    Z=              0.6769  Tot=              2.0064
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -24.6070   YY=            -26.6387   ZZ=            -24.4913
   XY=             -2.3323   XZ=             -0.3763   YZ=             -1.1494
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.6387   YY=             -1.3930   ZZ=              0.7544
   XY=             -2.3323   XZ=             -0.3763   YZ=             -1.1494
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -4.0061  YYY=             -1.5330  ZZZ=             -0.1818  XYY=              0.8038
  XXY=              1.5097  XXZ=              0.9021  XZZ=             -1.2171  YZZ=             -0.1470
  YYZ=             -0.1026  XYZ=              0.4803
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -220.4482 YYYY=            -78.0281 ZZZZ=            -56.9359 XXXY=             -1.7484
 XXXZ=             -0.1073 YYYX=             -0.6562 YYYZ=             -0.4567 ZZZX=              0.0779
 ZZZY=             -2.0122 XXYY=            -48.9136 XXZZ=            -46.7019 YYZZ=            -22.8958
 XXYZ=              1.3544 YYXZ=              1.0090 ZZXY=              0.2213
 N-N= 1.248292288098D+02 E-N=-7.004187996418D+02  KE= 1.922133452482D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 18:06:53 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.37216662D-01 6.51403454D-01 2.66668172D-01
 Polarizability= 4.48763905D+01-2.93312603D+00 3.57863909D+01
                 9.62235258D-01-1.23787392D+00 3.61062710D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3656   -0.3656       -1.2327   -1.2328
 2      0.3656    0.3656        0.3093    0.3094       -4.3866   -4.3868
 3      1.2327    1.2328        4.4336    4.4338       -0.3094   -0.3094
 4     -0.3093   -0.3094       -0.0000    0.0000        1.2326    1.2328
 5     -0.0470   -0.0470       -1.2326   -1.2328       -0.3657   -0.3656
 6      0.3094    0.3094        0.3657    0.3656       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.0967    1.0967       -3.6985   -3.6985
 2     -0.9281   -0.9281       -0.0000    0.0000       -3.6985   -3.6985
 3     -0.9281   -0.9281        1.0967    1.0967       -0.0000    0.0000
 4      1.0967    1.0967        0.9281    0.9281      -13.1605  -13.1605
 5      3.6985    3.6985       13.3014   13.3014       -0.9281   -0.9281
 6     -0.1409   -0.1409       -3.6985   -3.6985       -1.0967   -1.0967
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0063    0.0000        1.4463    1.4623        4.9250    4.9313
 2     -1.4477   -1.4623       -1.2291   -1.2375       17.5510   17.5474
 3     -4.9319   -4.9313      -17.7370  -17.7352        1.2498    1.2375
 4      1.2338    1.2375       -0.0241    0.0000       -4.9323   -4.9313
 5      0.1807    0.1879        4.9108    4.9313        1.4744    1.4623
 6     -1.2388   -1.2375       -1.4744   -1.4623        0.0049    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0054    0.0000       -2.6007   -2.5891        3.5303    3.5214
 2      2.5713    2.5891        0.8423    0.8305        0.1486    0.1498
 3     -3.5085   -3.5214       -4.7337   -4.7096       -0.8096   -0.8305
 4     -0.8166   -0.8305        0.0246    0.0000       -3.5236   -3.5214
 5      4.5683    4.5598        3.5031    3.5214       -2.6072   -2.5891
 6      0.8216    0.8305        2.5812    2.5891        0.0040    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.5162   -4.5105       -3.7473   -3.7373        9.5511    9.5468
 2     -6.2331   -6.2287       -4.4841   -4.4771        9.5389    9.5468
 3     -6.2304   -6.2287       -3.7222   -3.7373       10.2397   10.2391
 4      0.7400    0.7398        1.7399    1.7181        2.0836    2.0804
 5      0.7008    0.6922       -7.0950   -7.0765       -1.6962   -1.7181
 6      5.0019    4.9961       -0.6815   -0.6922       -0.7683   -0.7398
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2549   -2.6807    0.0012    0.0012    0.0012    1.3940
 Low frequencies ---  208.5603  368.3053  412.7048
 Diagonal vibrational polarizability:
        2.4450325       2.1399991       1.0898724
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    208.5603               368.3052               412.7048
 Red. masses --      1.0932                 2.3273                 2.4401
 Frc consts  --      0.0280                 0.1860                 0.2449
 IR Inten    --      0.4184                 3.6511                 4.5016
 RamAct Fr= 1--      0.0554                 0.8650                 1.0319
  Dep-P Fr= 1--      0.5993                 0.5471                 0.2151
  Dep-U Fr= 1--      0.7495                 0.7073                 0.3540
 Alpha2 Fr= 1--      0.0002                 0.0034                 0.0135
 Beta2  Fr= 1--      0.0069                 0.1020                 0.0609
 AlphaG Fr= 1--      0.0011                 0.0002                -0.0086
 Gamma2 Fr= 1--     -0.0105                -0.1521                -0.0656
 Delta2 Fr= 1--      0.0009                -0.0431                 0.0163
 Raman1 Fr= 1--       0.222                  3.460                  4.128
 ROA1   Fr= 1--      -0.985                -15.980                 -5.779
 CID1   Fr= 1--      -4.448                 -4.618                 -1.400
 Raman2 Fr= 1--       0.083                  1.224                  0.731
 ROA2   Fr= 1--      -0.260                 -3.306                 -1.705
 CID2   Fr= 1--      -3.133                 -2.702                 -2.334
 Raman3 Fr= 1--       0.166                  2.447                  1.461
 ROA3   Fr= 1--      -0.985                -15.980                 -5.779
 CID3   Fr= 1--      -5.935                 -6.530                 -3.955
 RC180  Fr= 1--       0.499                  0.415                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04     0.18   0.03  -0.07     0.08   0.01  -0.03
     2   6    -0.00   0.05   0.00     0.00  -0.17   0.02    -0.04   0.01   0.20
     3   8     0.02  -0.02   0.04    -0.14  -0.05   0.07     0.16   0.02  -0.05
     4   1    -0.03  -0.06  -0.07     0.45  -0.09  -0.13     0.36   0.09   0.05
     5   1    -0.03  -0.00  -0.06     0.17   0.31  -0.21    -0.13  -0.06  -0.27
     6   1     0.00   0.10   0.01     0.01  -0.15   0.02    -0.09  -0.06   0.19
     7   6     0.00  -0.01  -0.00    -0.04   0.13  -0.01    -0.19  -0.03  -0.06
     8   1     0.04   0.53   0.10    -0.13   0.38   0.05    -0.60  -0.11  -0.04
     9   1    -0.26  -0.22  -0.46     0.23   0.27  -0.25    -0.22  -0.06  -0.23
    10   1     0.25  -0.40   0.36    -0.25   0.18   0.16     0.03  -0.02  -0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --    773.2803               846.2451               909.0682
 Red. masses --      3.6376                 3.1441                 1.2762
 Frc consts  --      1.2815                 1.3266                 0.6214
 IR Inten    --      7.6508                43.0417                 2.6520
 RamAct Fr= 1--      7.5356                 8.6226                 3.0945
  Dep-P Fr= 1--      0.5244                 0.5837                 0.6524
  Dep-U Fr= 1--      0.6880                 0.7371                 0.7896
 Alpha2 Fr= 1--      0.0330                 0.0268                 0.0054
 Beta2  Fr= 1--      0.8641                 1.0593                 0.4072
 AlphaG Fr= 1--      0.0239                -0.0123                 0.0056
 Gamma2 Fr= 1--      0.9345                -1.2364                -0.8083
 Delta2 Fr= 1--      0.4854                -0.0368                -0.7128
 Raman1 Fr= 1--      30.142                 34.490                 12.378
 ROA1   Fr= 1--     105.243               -119.868               -100.403
 CID1   Fr= 1--       3.492                 -3.475                 -8.111
 Raman2 Fr= 1--      10.369                 12.712                  4.887
 ROA2   Fr= 1--      18.545                -29.378                -13.695
 CID2   Fr= 1--       1.788                 -2.311                 -2.802
 Raman3 Fr= 1--      20.738                 25.424                  9.774
 ROA3   Fr= 1--     105.243               -119.868               -100.403
 CID3   Fr= 1--       5.075                 -4.715                -10.273
 RC180  Fr= 1--       0.376                  0.474                  0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.22   0.05     0.20  -0.08   0.06    -0.01   0.05   0.07
     2   6    -0.09  -0.09  -0.22     0.04   0.22   0.00    -0.05   0.03  -0.02
     3   8     0.20  -0.10   0.06    -0.12  -0.16  -0.13    -0.01  -0.08   0.01
     4   1    -0.25   0.06  -0.07     0.03   0.04   0.13     0.51   0.11   0.16
     5   1     0.26   0.09   0.31     0.54   0.11   0.42    -0.34   0.02  -0.36
     6   1     0.04   0.23  -0.13    -0.04   0.33   0.01     0.20  -0.23  -0.08
     7   6    -0.21  -0.04   0.02    -0.10   0.05   0.05     0.01   0.06  -0.05
     8   1     0.16   0.05   0.01    -0.07  -0.08   0.02     0.37  -0.10  -0.12
     9   1    -0.18   0.01   0.22    -0.38  -0.10   0.16    -0.28  -0.09   0.25
    10   1    -0.49  -0.04   0.35     0.15  -0.07  -0.05     0.15  -0.10   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    975.4215              1043.2588              1130.8804
 Red. masses --      2.4011                 1.1810                 1.4750
 Frc consts  --      1.3460                 0.7573                 1.1114
 IR Inten    --     15.5528                 8.6648                 6.7644
 RamAct Fr= 1--      5.8578                 1.3303                 1.5106
  Dep-P Fr= 1--      0.1456                 0.3368                 0.4593
  Dep-U Fr= 1--      0.2541                 0.5038                 0.6295
 Alpha2 Fr= 1--      0.0916                 0.0122                 0.0089
 Beta2  Fr= 1--      0.2481                 0.1117                 0.1585
 AlphaG Fr= 1--      0.0280                 0.0264                -0.0184
 Gamma2 Fr= 1--      0.2926                 0.3124                -0.0781
 Delta2 Fr= 1--      0.0610                 0.2639                -0.1935
 Raman1 Fr= 1--      23.431                  5.321                  6.042
 ROA1   Fr= 1--      30.040                 38.430                -13.689
 CID1   Fr= 1--       1.282                  7.222                 -2.266
 Raman2 Fr= 1--       2.977                  1.341                  1.902
 ROA2   Fr= 1--       6.534                  5.386                 -0.326
 CID2   Fr= 1--       2.194                  4.018                 -0.172
 Raman3 Fr= 1--       5.955                  2.681                  3.803
 ROA3   Fr= 1--      30.040                 38.430                -13.689
 CID3   Fr= 1--       5.045                 14.334                 -3.599
 RC180  Fr= 1--      -0.492                  0.008                  0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.04     0.01   0.01   0.00    -0.06   0.01   0.10
     2   6    -0.13  -0.04   0.01    -0.03   0.04   0.04    -0.00   0.10   0.03
     3   8     0.01  -0.16  -0.02    -0.02  -0.03  -0.02     0.03  -0.04  -0.06
     4   1    -0.15   0.07  -0.04     0.16   0.37   0.26     0.16  -0.47  -0.19
     5   1    -0.03   0.11   0.06    -0.15  -0.31  -0.07    -0.02   0.62  -0.09
     6   1    -0.43   0.14   0.06    -0.03   0.54   0.14     0.02  -0.14  -0.02
     7   6     0.17   0.04   0.03     0.03  -0.08  -0.06     0.01  -0.09  -0.02
     8   1    -0.34  -0.07   0.04     0.14   0.17  -0.01    -0.01   0.18   0.04
     9   1     0.15  -0.02  -0.34     0.35   0.12  -0.07     0.32   0.10  -0.07
    10   1     0.46   0.07  -0.39    -0.32   0.05   0.16    -0.31   0.07   0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --   1158.5581              1167.6529              1190.1083
 Red. masses --      1.3981                 1.5867                 1.5879
 Frc consts  --      1.1056                 1.2746                 1.3251
 IR Inten    --      1.7277                 3.6287                 0.6942
 RamAct Fr= 1--      2.4829                 1.7749                 3.4274
  Dep-P Fr= 1--      0.6668                 0.4957                 0.1418
  Dep-U Fr= 1--      0.8001                 0.6628                 0.2484
 Alpha2 Fr= 1--      0.0037                 0.0089                 0.0541
 Beta2  Fr= 1--      0.3311                 0.1961                 0.1419
 AlphaG Fr= 1--      0.0002                -0.0082                 0.0211
 Gamma2 Fr= 1--      0.4620                 0.1470                -0.8372
 Delta2 Fr= 1--      0.0906                 0.1202                -0.4296
 Raman1 Fr= 1--       9.932                  7.100                 13.710
 ROA1   Fr= 1--      47.255                 17.954                -94.120
 CID1   Fr= 1--       4.758                  2.529                 -6.865
 Raman2 Fr= 1--       3.973                  2.353                  1.703
 ROA2   Fr= 1--      10.363                  2.566                -16.656
 CID2   Fr= 1--       2.608                  1.090                 -9.781
 Raman3 Fr= 1--       7.947                  4.706                  3.406
 ROA3   Fr= 1--      47.255                 17.954                -94.120
 CID3   Fr= 1--       5.947                  3.816                -27.635
 RC180  Fr= 1--       0.600                  0.326                 -0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.09  -0.04    -0.05  -0.01  -0.05    -0.01  -0.05   0.11
     2   6    -0.08  -0.05   0.00     0.05   0.10  -0.12     0.06  -0.07  -0.14
     3   8     0.05   0.04   0.02     0.00  -0.03   0.06    -0.01   0.05  -0.02
     4   1     0.45   0.20   0.22     0.32   0.46   0.29     0.32  -0.28  -0.01
     5   1     0.41   0.47   0.37     0.02  -0.02   0.04    -0.27   0.06  -0.26
     6   1    -0.25   0.19   0.05     0.08  -0.42  -0.24    -0.02   0.68   0.01
     7   6     0.02   0.03  -0.04    -0.01  -0.06   0.10    -0.01   0.02   0.08
     8   1     0.17  -0.04  -0.07    -0.44   0.05   0.16    -0.31  -0.11   0.08
     9   1    -0.04  -0.01   0.02     0.13   0.00  -0.20    -0.12  -0.07  -0.11
    10   1     0.11  -0.04  -0.02    -0.10   0.13  -0.11     0.10   0.03  -0.10
                     13                     14                     15
                      A                      A                      A
 Frequencies --   1295.6811              1407.4016              1441.0215
 Red. masses --      1.5711                 1.2498                 1.6122
 Frc consts  --      1.5540                 1.4586                 1.9724
 IR Inten    --      5.4334                 3.4464                21.3968
 RamAct Fr= 1--     22.2819                 1.3456                 9.1196
  Dep-P Fr= 1--      0.2147                 0.4680                 0.3095
  Dep-U Fr= 1--      0.3535                 0.6376                 0.4727
 Alpha2 Fr= 1--      0.2909                 0.0077                 0.0909
 Beta2  Fr= 1--      1.3129                 0.1430                 0.7184
 AlphaG Fr= 1--     -0.0323                 0.0022                -0.0454
 Gamma2 Fr= 1--      0.6171                 0.1416                -0.8507
 Delta2 Fr= 1--      0.0259                 0.0851                -0.2589
 Raman1 Fr= 1--      89.128                  5.382                 36.478
 ROA1   Fr= 1--      60.070                 16.316                -89.950
 CID1   Fr= 1--       0.674                  3.031                 -2.466
 Raman2 Fr= 1--      15.755                  1.716                  8.621
 ROA2   Fr= 1--      14.603                  2.717                -18.345
 CID2   Fr= 1--       0.927                  1.583                 -2.128
 Raman3 Fr= 1--      31.511                  3.432                 17.242
 ROA3   Fr= 1--      60.070                 16.316                -89.950
 CID3   Fr= 1--       1.906                  4.754                 -5.217
 RC180  Fr= 1--      -0.293                  0.275                 -0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.07  -0.07     0.02  -0.01   0.01    -0.04   0.03   0.00
     2   6     0.09  -0.07   0.07    -0.07   0.01  -0.02     0.19  -0.02   0.00
     3   8    -0.01  -0.06  -0.05     0.00   0.02   0.00    -0.01  -0.04   0.00
     4   1    -0.09   0.22   0.02     0.08  -0.12  -0.05    -0.15   0.22   0.10
     5   1     0.05   0.32   0.06     0.04  -0.14   0.07    -0.15   0.24  -0.19
     6   1     0.82   0.26   0.16     0.31   0.01  -0.02    -0.61  -0.01  -0.01
     7   6    -0.02   0.02   0.03    -0.10  -0.03   0.07    -0.12   0.01  -0.01
     8   1    -0.09  -0.08   0.02     0.48   0.08   0.03     0.21  -0.02  -0.04
     9   1    -0.05  -0.01   0.02     0.37   0.21  -0.29     0.27   0.25   0.11
    10   1     0.07  -0.04   0.03     0.37  -0.03  -0.44     0.31  -0.29   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1483.2160              1496.8023              1532.1776
 Red. masses --      1.0508                 1.0594                 1.3754
 Frc consts  --      1.3620                 1.3984                 1.9024
 IR Inten    --      5.4887                 6.3102                 5.7259
 RamAct Fr= 1--      3.6666                 4.9573                 2.8373
  Dep-P Fr= 1--      0.7471                 0.7096                 0.3888
  Dep-U Fr= 1--      0.8553                 0.8302                 0.5599
 Alpha2 Fr= 1--      0.0002                 0.0035                 0.0219
 Beta2  Fr= 1--      0.5227                 0.6859                 0.2648
 AlphaG Fr= 1--      0.0021                -0.0090                -0.0087
 Gamma2 Fr= 1--     -0.3479                 1.6894                -0.5527
 Delta2 Fr= 1--     -0.0692                 0.5003                -0.1343
 Raman1 Fr= 1--      14.666                 19.829                 11.349
 ROA1   Fr= 1--     -35.611                178.193                -57.358
 CID1   Fr= 1--      -2.428                  8.986                 -5.054
 Raman2 Fr= 1--       6.272                  8.231                  3.177
 ROA2   Fr= 1--      -7.796                 36.543                -12.190
 CID2   Fr= 1--      -1.243                  4.440                 -3.837
 Raman3 Fr= 1--      12.544                 16.461                  6.355
 ROA3   Fr= 1--     -35.611                178.193                -57.358
 CID3   Fr= 1--      -2.839                 10.825                 -9.026
 RC180  Fr= 1--       0.711                  0.660                  0.120
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.09   0.10  -0.03
     2   6     0.03  -0.03   0.01    -0.04   0.00  -0.02     0.10  -0.01   0.03
     3   8     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.02  -0.02  -0.01
     4   1    -0.10   0.09   0.05     0.12  -0.09  -0.05     0.53  -0.34  -0.24
     5   1    -0.03   0.11  -0.08     0.04  -0.12   0.09     0.10  -0.49   0.43
     6   1    -0.07   0.04   0.02     0.14   0.01  -0.02    -0.18  -0.01   0.03
     7   6     0.01  -0.05   0.00     0.00  -0.02  -0.04    -0.02  -0.00  -0.00
     8   1     0.14   0.62   0.13    -0.42   0.30   0.08     0.10   0.05  -0.00
     9   1    -0.28  -0.17   0.29     0.25   0.21   0.58    -0.11  -0.06   0.00
    10   1    -0.05   0.30  -0.49     0.34  -0.30   0.07    -0.08   0.07  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --   3032.9805              3083.5766              3090.9648
 Red. masses --      1.0353                 1.0500                 1.1007
 Frc consts  --      5.6113                 5.8826                 6.1961
 IR Inten    --     17.9721                27.9875                18.6482
 RamAct Fr= 1--    197.0776               115.6026                83.8332
  Dep-P Fr= 1--      0.0130                 0.0960                 0.7002
  Dep-U Fr= 1--      0.0257                 0.1752                 0.8237
 Alpha2 Fr= 1--      4.2479                 2.0440                 0.0728
 Beta2  Fr= 1--      0.8458                 3.3749                11.5085
 AlphaG Fr= 1--     -0.1836                 0.2757                 0.1577
 Gamma2 Fr= 1--     -0.3331                 7.4751                 1.2609
 Delta2 Fr= 1--      0.0989                 0.8099                 2.0791
 Raman1 Fr= 1--     788.310                462.410                335.333
 ROA1   Fr= 1--     -28.817                743.523                187.579
 CID1   Fr= 1--      -0.037                  1.608                  0.559
 Raman2 Fr= 1--      10.149                 40.499                138.102
 ROA2   Fr= 1--      -8.786                172.923                 13.630
 CID2   Fr= 1--      -0.866                  4.270                  0.099
 Raman3 Fr= 1--      20.299                 80.998                276.203
 ROA3   Fr= 1--     -28.817                743.523                187.579
 CID3   Fr= 1--      -1.420                  9.179                  0.679
 RC180  Fr= 1--      -0.949                 -0.650                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.04   0.04  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   1     0.00   0.01  -0.01    -0.07  -0.38   0.60    -0.00  -0.00   0.00
     5   1    -0.00   0.00   0.00     0.51  -0.15  -0.42    -0.00   0.00   0.00
     6   1     0.00  -0.01   0.03     0.00  -0.03   0.15     0.00   0.02  -0.11
     7   6     0.05   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.09  -0.03
     8   1     0.05  -0.10   0.48    -0.01   0.01  -0.06     0.01  -0.04   0.09
     9   1    -0.29   0.50  -0.06    -0.02   0.04  -0.00    -0.37   0.58  -0.08
    10   1    -0.33  -0.47  -0.28    -0.01  -0.01  -0.01     0.37   0.51   0.31
                     22                     23                     24
                      A                      A                      A
 Frequencies --   3091.8404              3114.6657              3167.3052
 Red. masses --      1.0901                 1.0998                 1.1202
 Frc consts  --      6.1397                 6.2862                 6.6211
 IR Inten    --     10.5636                37.0962                29.6776
 RamAct Fr= 1--    197.4901                28.1126                80.7424
  Dep-P Fr= 1--      0.3151                 0.1987                 0.6827
  Dep-U Fr= 1--      0.4792                 0.3315                 0.8114
 Alpha2 Fr= 1--      1.9353                 0.3831                 0.0958
 Beta2  Fr= 1--     15.7717                 1.5531                10.9191
 AlphaG Fr= 1--     -0.4207                -0.2122                 0.1894
 Gamma2 Fr= 1--    -15.2480                 2.7859                 3.7908
 Delta2 Fr= 1--    -10.4900                 2.6221                 3.0104
 Raman1 Fr= 1--     789.960                112.451                322.969
 ROA1   Fr= 1--   -1799.493                351.357                460.251
 CID1   Fr= 1--      -2.278                  3.125                  1.425
 Raman2 Fr= 1--     189.261                 18.637                131.029
 ROA2   Fr= 1--    -282.033                 45.885                 66.897
 CID2   Fr= 1--      -1.490                  2.462                  0.511
 Raman3 Fr= 1--     378.521                 37.275                262.057
 ROA3   Fr= 1--   -1799.493                351.357                460.251
 CID3   Fr= 1--      -4.754                  9.426                  1.756
 RC180  Fr= 1--      -0.042                 -0.337                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01    -0.00  -0.00   0.01     0.05   0.02  -0.08
     2   6     0.00   0.02  -0.07    -0.00   0.01  -0.04     0.00   0.00  -0.01
     3   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.02   0.09  -0.14     0.01   0.03  -0.05    -0.05  -0.36   0.56
     5   1    -0.06   0.01   0.04     0.04  -0.01  -0.03    -0.56   0.17   0.43
     6   1    -0.01  -0.17   0.82    -0.01  -0.10   0.48     0.00  -0.03   0.10
     7   6     0.01  -0.02   0.04    -0.03   0.02  -0.07    -0.00   0.00  -0.00
     8   1    -0.04   0.09  -0.42     0.06  -0.15   0.73     0.00  -0.01   0.03
     9   1    -0.12   0.21  -0.02     0.16  -0.28   0.02     0.00  -0.01   0.00
    10   1    -0.02  -0.05  -0.02     0.15   0.22   0.12     0.01   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  1 and mass   1.00783
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Molecular mass:    58.04186 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --    99.06019 270.16776 303.22575
           X            0.99884  -0.04603  -0.01409
           Y            0.04415   0.99263  -0.11282
           Z            0.01918   0.11207   0.99352
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.87436     0.32059     0.28564
 Rotational constants (GHZ):          18.21863     6.68008     5.95181
 Zero-point vibrational energy     223831.3 (Joules/Mol)
                                   53.49697 (Kcal/Mol)
 Warning -- explicit consideration of   3 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    300.07   529.91   593.79  1112.58  1217.56
          (Kelvin)           1307.95  1403.41  1501.02  1627.08  1666.91
                             1679.99  1712.30  1864.20  2024.94  2073.31
                             2134.02  2153.56  2204.46  4363.78  4436.58
                             4447.21  4448.47  4481.31  4557.05
 
 Zero-point correction=                           0.085253 (Hartree/Particle)
 Thermal correction to Energy=                    0.089666
 Thermal correction to Enthalpy=                  0.090610
 Thermal correction to Gibbs Free Energy=         0.058882
 Sum of electronic and zero-point Energies=           -193.114009
 Sum of electronic and thermal Energies=              -193.109597
 Sum of electronic and thermal Enthalpies=            -193.108652
 Sum of electronic and thermal Free Energies=         -193.140380
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   56.266             14.762             66.776
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.096
 Rotational               0.889              2.981             23.610
 Vibrational             54.489              8.801              5.069
 Vibration     1          0.642              1.828              2.056
 Vibration     2          0.741              1.537              1.087
 Vibration     3          0.776              1.443              0.917
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.824081D-27        -27.084030        -62.363284
 Total V=0       0.134749D+13         12.129526         27.929265
 Vib (Bot)       0.147031D-38        -38.832591        -89.415345
 Vib (Bot)    1  0.952867D+00         -0.020968         -0.048280
 Vib (Bot)    2  0.494886D+00         -0.305495         -0.703428
 Vib (Bot)    3  0.427820D+00         -0.368739         -0.849053
 Vib (V=0)       0.240417D+01          0.380965          0.877204
 Vib (V=0)    1  0.157608D+01          0.197579          0.454943
 Vib (V=0)    2  0.120350D+01          0.080446          0.185234
 Vib (V=0)    3  0.115805D+01          0.063727          0.146737
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.173806D+08          7.240066         16.670868
 Rotational      0.322474D+05          4.508495         10.381193
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33333 3                                                           111 11    1  1111   1                                         
     11000 0                                                           544 44    2  1111   0 9  9  8 7              4 3     2        
     61998 3                                                           398 40    9  9653   4 7  0  4 7              1 6     0        
     75214 3                                                           273 17    6  0891   3 5  9  6 3              3 8     9        
 
     XXXXX X                                                           XXX XX    X  XXXX   X X  X  X X              X X     X        
     XXXXX X                                                           XXX XX    X   X X   X X     X X              X X              
     XXXXX X                                                           XXX X     X     X   X X     X X                               
     XXXXX X                                                               X               X X     X X                               
     XXXXX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                       X                                 
     XX XX                                                                 X                       X                                 
     XX  X                                                                 X                       X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
                                                                                                   X                                 
                                                                                                   X                                 
                                                                                                   X                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001753   -0.000000545    0.000000103
      2        6          -0.000002096   -0.000001456    0.000003468
      3        8          -0.000000351   -0.000000432    0.000000897
      4        1           0.000003247    0.000000589   -0.000003758
      5        1          -0.000001297    0.000000211    0.000001116
      6        1           0.000000049    0.000000068    0.000000469
      7        6           0.000002878   -0.000001473   -0.000003016
      8        1          -0.000003004    0.000001178    0.000001581
      9        1           0.000000402    0.000000237   -0.000000877
     10        1          -0.000001580    0.000001623    0.000000018
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000003758 RMS     0.000001730
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.522567D+00
      2 -0.157126D+00  0.439494D+00
      3 -0.108173D+00 -0.135505D+00  0.549398D+00
      4 -0.205289D+00  0.124831D+00 -0.607234D-01  0.592733D+00
      5  0.765727D-01 -0.498009D-01  0.516438D-01 -0.382914D-01  0.279221D+00
      6 -0.696786D-01  0.772233D-01 -0.862307D-01  0.336646D-01 -0.895262D-01
      7 -0.324195D-01 -0.100829D-02  0.168730D-01 -0.113853D+00 -0.483605D-01
      8  0.388367D-01 -0.217794D+00 -0.121355D-01 -0.866648D-01 -0.844057D-01
      9  0.258899D-01 -0.330541D-01 -0.546621D-01 -0.536510D-01 -0.378219D-01
     10 -0.535078D-01 -0.938752D-02  0.293756D-01  0.434096D-02  0.147296D-01
     11 -0.124654D-01 -0.112845D+00  0.118141D+00  0.127956D-03 -0.498189D-02
     12  0.275079D-01  0.123557D+00 -0.249626D+00  0.460161D-02  0.600940D-02
     13 -0.209076D+00  0.453904D-01  0.131543D+00 -0.135676D-01  0.288948D-02
     14  0.388132D-01 -0.541025D-01 -0.275256D-01 -0.126420D-02 -0.746937D-02
     15  0.131152D+00 -0.267949D-01 -0.156183D+00 -0.133386D-01  0.200689D-02
     16 -0.273725D-02  0.135840D-02 -0.197146D-01 -0.502986D-01 -0.204812D-02
     17 -0.415486D-02 -0.680000D-02  0.236040D-01  0.263555D-02 -0.577838D-01
     18 -0.745279D-03 -0.278877D-02 -0.323732D-02  0.118235D-01  0.603984D-01
     19 -0.188137D-01 -0.409320D-02  0.521320D-02 -0.181885D+00 -0.503361D-02
     20  0.227294D-01 -0.179650D-03 -0.171867D-01  0.171299D-02 -0.743107D-01
     21 -0.497664D-02 -0.265159D-02  0.172865D-02  0.647057D-01  0.805986D-02
     22  0.164073D-02  0.311829D-03  0.168179D-02  0.985356D-03 -0.636406D-02
     23  0.134417D-03  0.113671D-02 -0.851464D-03 -0.434617D-03 -0.201197D-02
     24 -0.103326D-02 -0.134984D-03  0.279418D-03 -0.165294D-02  0.243364D-02
     25 -0.344474D-02  0.572262D-03  0.529160D-02 -0.202283D-01  0.278409D-01
     26 -0.234901D-02  0.753746D-03 -0.374498D-03 -0.227063D-02  0.394280D-02
     27  0.944319D-03  0.399617D-03 -0.172869D-02  0.885914D-02 -0.143811D-01
     28  0.108053D-02 -0.849717D-03 -0.136733D-02 -0.129380D-01 -0.219349D-01
     29 -0.991628D-03  0.137592D-03  0.189888D-03 -0.382177D-03 -0.239906D-02
     30 -0.887061D-03 -0.250263D-03  0.262561D-03  0.571143D-02  0.111773D-01
                6             7             8             9            10 
      6  0.620284D+00
      7 -0.412045D-01  0.171671D+00
      8 -0.579937D-01  0.488325D-01  0.340333D+00
      9 -0.105293D+00  0.543535D-01  0.831523D-01  0.145693D+00
     10 -0.236221D-01 -0.314058D-03 -0.140659D-02  0.244505D-02  0.493774D-01
     11 -0.502454D-02  0.566348D-02 -0.275027D-01  0.256987D-01  0.633000D-02
     12 -0.121556D-01 -0.382412D-02 -0.485119D-02  0.158442D-01 -0.274379D-01
     13  0.185601D-01  0.657210D-02  0.523700D-02 -0.772865D-02  0.279189D-03
     14  0.175703D-02  0.307806D-01 -0.165903D-01 -0.174354D-01 -0.118415D-01
     15  0.120492D-01  0.510287D-02 -0.668230D-02 -0.739214D-03  0.186465D-01
     16  0.123893D-01 -0.675517D-02  0.288887D-02 -0.207564D-01 -0.158989D-02
     17  0.643553D-01 -0.519627D-02  0.587008D-02 -0.310666D-01  0.309743D-02
     18 -0.301865D+00 -0.124503D-01 -0.177007D-02 -0.132831D-01  0.450162D-03
     19  0.582050D-01 -0.236860D-01 -0.561593D-02 -0.136371D-02  0.150210D-02
     20  0.869755D-02 -0.342129D-01 -0.209315D-02  0.893042D-02 -0.134591D-02
     21 -0.118070D+00 -0.206588D-01 -0.231672D-02  0.884985D-02 -0.971823D-03
     22  0.331769D-01  0.294810D-02 -0.443335D-05 -0.176061D-02 -0.236067D-03
     23  0.262741D-02  0.597754D-03 -0.580863D-03  0.252871D-03  0.381633D-04
     24 -0.172650D-01 -0.471823D-03  0.223944D-03  0.247839D-02  0.749255D-03
     25 -0.469240D-02  0.332653D-02 -0.170325D-02 -0.955700D-03  0.411765D-03
     26 -0.966769D-03  0.211847D-02  0.129630D-02  0.507584D-03 -0.164323D-03
     27  0.183683D-02 -0.123467D-02  0.126764D-02  0.595382D-03  0.323041D-03
     28 -0.167983D-01 -0.748996D-02 -0.400084D-03  0.352766D-02 -0.263538D-03
     29 -0.114940D-02  0.785134D-03  0.146759D-02  0.836133D-03 -0.492901D-04
     30  0.670902D-02  0.351484D-02  0.110557D-02  0.516082D-03  0.422028D-04
               11            12            13            14            15 
     11  0.136927D+00
     12 -0.133919D+00  0.254914D+00
     13  0.495808D-03 -0.814634D-03  0.216528D+00
     14  0.712167D-02  0.869025D-02 -0.564753D-01  0.690496D-01
     15 -0.506683D-02 -0.113866D-01 -0.140335D+00  0.350583D-01  0.156294D+00
     16 -0.984815D-03 -0.747039D-03  0.929420D-03  0.886456D-03  0.410794D-03
     17  0.123473D-02  0.172391D-02 -0.826827D-03  0.348063D-03 -0.135112D-02
     18 -0.178809D-03  0.869703D-03 -0.471049D-03 -0.108204D-03  0.494254D-04
     19  0.201972D-03  0.111314D-02 -0.578771D-03 -0.679252D-03 -0.507797D-03
     20  0.159607D-03 -0.991024D-03  0.364351D-02  0.144052D-02  0.290643D-02
     21  0.922941D-03  0.688529D-03 -0.995543D-03  0.906235D-04 -0.759928D-03
     22  0.324974D-03 -0.504243D-03  0.165126D-03  0.145415D-03 -0.171597D-03
     23 -0.159620D-03 -0.148197D-03  0.338510D-04 -0.626311D-04  0.645385D-04
     24 -0.147628D-03  0.602047D-03 -0.148464D-03 -0.306311D-03  0.220988D-03
     25  0.274760D-04  0.194240D-03 -0.124519D-02 -0.580720D-03 -0.107130D-02
     26 -0.126657D-04 -0.982714D-04 -0.220168D-03  0.158106D-03 -0.517973D-04
     27 -0.169722D-03  0.260881D-03  0.378556D-03 -0.155993D-03  0.539021D-03
     28  0.278539D-03 -0.890155D-04 -0.607185D-05  0.215323D-03  0.112600D-03
     29  0.594475D-04  0.275982D-04 -0.167784D-03  0.106842D-03 -0.891889D-04
     30 -0.255962D-03 -0.106093D-04  0.117387D-04 -0.647009D-04 -0.837720D-04
               16            17            18            19            20 
     16  0.622571D-01
     17  0.373646D-02  0.542254D-01
     18 -0.112509D-02 -0.595022D-01  0.326445D+00
     19  0.169861D-02  0.166711D-02 -0.473351D-03  0.500119D+00
     20 -0.572941D-02  0.167721D-02  0.395190D-02 -0.766714D-02  0.554605D+00
     21  0.285766D-01  0.254975D-02 -0.970476D-02  0.329686D-01  0.268549D-03
     22 -0.533181D-02 -0.665199D-03  0.203307D-02 -0.500388D-01  0.593927D-02
     23 -0.440719D-03  0.900727D-03  0.897395D-04  0.587850D-02 -0.577923D-01
     24  0.261602D-02  0.138230D-03  0.554833D-03 -0.237798D-01  0.533873D-01
     25  0.902041D-03 -0.686461D-03  0.863378D-04 -0.113447D+00  0.112982D+00
     26  0.552699D-03  0.216284D-03 -0.513585D-03  0.114135D+00 -0.236827D+00
     27 -0.661125D-03 -0.194128D-03  0.263920D-03 -0.135523D-01  0.242170D-01
     28  0.925528D-03  0.393074D-03  0.871912D-03 -0.114870D+00 -0.980522D-01
     29 -0.219813D-03  0.111342D-03  0.421617D-03 -0.987935D-01 -0.186679D+00
     30 -0.988530D-03 -0.257173D-03 -0.925115D-04 -0.578230D-01 -0.841814D-01
               21            22            23            24            25 
     21  0.563747D+00
     22 -0.278030D-01  0.536781D-01
     23  0.531706D-01 -0.668060D-02  0.576919D-01
     24 -0.297257D+00  0.250954D-01 -0.588635D-01  0.323990D+00
     25 -0.138377D-01 -0.190441D-02  0.198673D-02 -0.439693D-03  0.126032D+00
     26  0.239484D-01  0.207073D-02 -0.500511D-02  0.558536D-03 -0.125785D+00
     27 -0.510743D-01 -0.159971D-01  0.273112D-01 -0.187242D-02  0.128245D-01
     28 -0.570074D-01 -0.190639D-02 -0.111348D-02 -0.934626D-03  0.959803D-02
     29 -0.840423D-01  0.492208D-02  0.588316D-02  0.271078D-02 -0.146543D-01
     30 -0.981485D-01 -0.157506D-01 -0.236531D-01 -0.117314D-01  0.260013D-02
               26            27            28            29            30 
     26  0.255462D+00
     27 -0.260045D-01  0.502147D-01
     28  0.119121D-01  0.811556D-02  0.125870D+00
     29 -0.199837D-01 -0.122900D-01  0.109551D+00  0.201296D+00
     30  0.299490D-02  0.964718D-03  0.635689D-01  0.933849D-01  0.101614D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.482566D+02 -0.246565D+01  0.731148D+00
      2  -0.246565D+01  0.394829D+02 -0.618736D+00
      3   0.731148D+00 -0.618736D+00  0.393890D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.821584D+00  0.798007D+00 -0.627808D+01
      2  -0.431944D+01  0.746678D+00  0.705439D+01
      3   0.368902D+01 -0.622385D+01 -0.153321D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.240060D+02 -0.133503D-01  0.272703D+01
      2  -0.142583D+02  0.450383D+01 -0.751202D+01
      3  -0.974773D+01 -0.449048D+01  0.478499D+01
      4   0.177549D+02  0.690766D+01 -0.133534D+01
      5   0.484531D+01  0.190824D+00  0.131364D+02
      6  -0.182129D+01 -0.470154D+01  0.140176D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.400688D+01  0.118392D+01 -0.438878D+01  0.337649D-04 -0.885104D+00
      2   0.118392D+01 -0.403872D+00  0.204206D+01 -0.885104D+00  0.503859D+01
      3  -0.438878D+01  0.204206D+01 -0.130990D+00  0.105624D+01  0.234507D+01
                 6             7             8             9            10 
      1   0.105624D+01 -0.666843D+01  0.222886D+01  0.464249D+00  0.671916D+01
      2   0.234507D+01  0.222886D+01  0.239708D+01 -0.271203D+01 -0.132405D+01
      3  -0.237798D+01  0.464249D+00 -0.271203D+01  0.156409D+01  0.335100D+01
                11            12            13            14            15 
      1  -0.132405D+01  0.335100D+01 -0.166695D+01  0.461830D+01  0.431558D+00
      2   0.257037D+01  0.123323D+00  0.461830D+01 -0.195484D+00  0.129029D+01
      3   0.123323D+00 -0.200541D+00  0.431558D+00  0.129029D+01  0.128014D+01
                16            17            18            19            20 
      1   0.468723D+01  0.751502D+00  0.751701D+00 -0.379485D+01 -0.363604D+01
      2   0.751502D+00  0.114550D+01  0.172007D+01 -0.363604D+01 -0.927228D+00
      3   0.751701D+00  0.172007D+01 -0.792078D+01 -0.123597D+01 -0.268993D+00
                21            22            23            24            25 
      1  -0.123597D+01 -0.190712D+01 -0.289896D+01 -0.768412D+00 -0.176484D+01
      2  -0.268993D+00 -0.289896D+01 -0.901669D+01 -0.182727D+01 -0.129098D+01
      3   0.356409D+00 -0.768412D+00 -0.182727D+01 -0.536959D+00 -0.133731D+01
                26            27            28            29            30 
      1  -0.129098D+01 -0.133731D+01 -0.244783D+00  0.941985D+00 -0.323624D+00
      2  -0.152004D+01 -0.223907D+01  0.941985D+00 -0.367142D-01 -0.471867D+00
      3  -0.223907D+01 -0.132384D+01 -0.323624D+00 -0.471867D+00  0.237215D+00
                31            32            33            34            35 
      1   0.124994D+01 -0.750400D+00  0.370153D+00 -0.951468D+00  0.287506D+00
      2  -0.750400D+00  0.343973D+01 -0.288639D+01  0.287506D+00 -0.334678D+01
      3   0.370153D+00 -0.288639D+01  0.273258D+01 -0.747964D+00  0.328320D+01
                36            37            38            39            40 
      1  -0.747964D+00 -0.679590D+01  0.234895D+01  0.288554D+01  0.201345D+01
      2   0.328320D+01  0.234895D+01 -0.193851D+01 -0.102991D+01 -0.193790D+01
      3  -0.518744D+01  0.288554D+01 -0.102991D+01 -0.225485D+01 -0.721649D+00
                41            42            43            44            45 
      1  -0.193790D+01 -0.721649D+00  0.430839D+01 -0.142999D+01 -0.263615D+01
      2   0.135521D+01  0.629643D+00 -0.142999D+01  0.839884D+00  0.159224D+01
      3   0.629643D+00  0.931277D+00 -0.263615D+01  0.159224D+01  0.272110D+01
                46            47            48            49            50 
      1   0.750530D+00 -0.939466D-01  0.120931D+01 -0.190049D+00 -0.368082D+00
      2  -0.939466D-01 -0.158316D+00 -0.723893D-01 -0.368082D+00 -0.741627D+00
      3   0.120931D+01 -0.723893D-01  0.209702D+00 -0.406087D-01  0.121058D+01
                51            52            53            54            55 
      1  -0.406087D-01  0.159372D+01 -0.205939D+00  0.427702D+00 -0.207577D+01
      2   0.121058D+01 -0.205939D+00  0.127504D+01 -0.145420D+01  0.870218D+00
      3  -0.154382D+01  0.427702D+00 -0.145420D+01  0.107848D+02 -0.256036D+01
                56            57            58            59            60 
      1   0.870218D+00 -0.256036D+01  0.115938D+01 -0.614241D+01 -0.135624D+01
      2  -0.494241D+01 -0.119212D+01 -0.614241D+01  0.143884D+01 -0.164587D+01
      3  -0.119212D+01  0.655182D+00 -0.135624D+01 -0.164587D+01 -0.253564D+01
                61            62            63            64            65 
      1  -0.286632D+01 -0.135332D+01 -0.454470D+00  0.171784D-01  0.150284D+00
      2  -0.135332D+01 -0.191269D+01 -0.225432D+01  0.150284D+00  0.390744D+00
      3  -0.454470D+00 -0.225432D+01  0.627327D+01 -0.598260D+00  0.122545D+00
                66            67            68            69            70 
      1  -0.598260D+00  0.399705D+00  0.858737D+00 -0.116048D+00 -0.197803D+01
      2   0.122545D+00  0.858737D+00  0.513495D+00 -0.972818D+00 -0.749386D-01
      3  -0.531735D+00 -0.116048D+00 -0.972818D+00  0.128824D+01  0.114462D+01
                71            72            73            74            75 
      1  -0.749386D-01  0.114462D+01  0.476012D+01 -0.263469D+01  0.354852D+00
      2  -0.135059D+01  0.121360D+01 -0.263469D+01  0.301579D+01 -0.172629D-01
      3   0.121360D+01 -0.804631D+01  0.354852D+00 -0.172629D-01  0.668522D+00
                76            77            78            79            80 
      1  -0.468731D+01  0.411127D+01  0.148003D+00  0.949272D+00 -0.608505D-01
      2   0.411127D+01 -0.585652D+01  0.364621D+00 -0.608505D-01  0.636990D+00
      3   0.148003D+00  0.364621D+00 -0.992162D+00  0.927878D+00 -0.681961D+00
                81            82            83            84            85 
      1   0.927878D+00  0.467120D+01  0.219337D+01  0.130629D+01  0.362893D+01
      2  -0.681961D+00  0.219337D+01  0.243015D+01  0.764620D+00  0.339456D+01
      3  -0.276102D+00  0.130629D+01  0.764620D+00  0.991081D+00  0.997003D+00
                86            87            88            89            90 
      1   0.339456D+01  0.997003D+00  0.269048D+01  0.114815D+01  0.145974D+01
      2   0.402446D+01  0.149214D+01  0.114815D+01  0.183560D+01  0.153247D+01
      3   0.149214D+01  0.175431D+01  0.145974D+01  0.153247D+01  0.141118D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.669927D+01 -0.259214D+01 -0.251837D+00 -0.250632D+01 -0.143120D+01
      2   0.710119D+01 -0.411517D+01  0.194694D+01 -0.230156D+01 -0.196033D+01
      3   0.753775D+00 -0.406145D+01 -0.125708D+01  0.659974D+00  0.295656D+01
                 6             7             8             9            10 
      1   0.219917D+01 -0.332236D+01  0.583628D+01 -0.180340D+01 -0.238658D+01
      2   0.422519D+01 -0.201102D+01  0.456400D+01  0.849703D-01 -0.262052D+01
      3   0.429993D+01 -0.382337D+01  0.491192D+01 -0.268753D+01  0.921559D+00
                11            12            13            14            15 
      1   0.233946D+01 -0.217649D+00  0.258253D+01 -0.789004D+00 -0.223228D+01
      2   0.128416D+01 -0.182949D+01  0.211540D+01 -0.195699D+01 -0.616362D+00
      3  -0.189785D+01  0.187065D+00  0.546653D+01  0.997319D+00 -0.240801D+00
                16            17            18            19            20 
      1   0.909329D+00  0.565366D+00  0.193738D+01 -0.192725D+01 -0.689203D+00
      2  -0.856666D+01  0.558876D+00 -0.469715D+01  0.183956D+01  0.126633D+01
      3   0.114053D+01 -0.907256D+00 -0.480981D+00  0.177657D+01 -0.316262D+01
                21            22            23            24            25 
      1  -0.271216D+01 -0.128726D+01  0.272196D+01 -0.833553D+01 -0.134070D+01
      2   0.454958D+01 -0.168521D+01  0.240816D+01  0.264339D+01 -0.309116D+01
      3   0.251918D+00  0.886735D+01 -0.961790D+01 -0.151217D+01  0.290136D+01
                26            27            28            29            30 
      1   0.310018D+01 -0.236980D+01  0.222643D+00  0.571564D+00 -0.250599D+00
      2   0.187875D+01  0.214313D+01  0.108537D+01  0.346709D+00  0.276127D+00
      3  -0.104913D+01 -0.400143D+00  0.127693D+01  0.170337D+00 -0.506842D+00
                31            32            33            34            35 
      1  -0.304659D+00  0.860432D+00 -0.366071D+01  0.397778D+00 -0.448281D+00
      2   0.861551D+00  0.348256D+01 -0.349668D+01 -0.203072D+01 -0.383476D+01
      3   0.200885D+01  0.412593D+01 -0.313778D+01 -0.179879D+01 -0.398364D+01
                36            37            38            39            40 
      1   0.608390D+01 -0.322922D+01 -0.231136D+00  0.299009D+01  0.552036D+00
      2   0.625806D+01 -0.233316D+01  0.135258D+01  0.497943D+01  0.622006D+00
      3   0.411041D+01 -0.327280D+01 -0.289429D+01  0.111710D+01  0.344790D+00
                41            42            43            44            45 
      1  -0.413459D+00 -0.170358D+01  0.282947D+01 -0.424947D+00 -0.335766D+01
      2  -0.103788D+01 -0.206353D+01  0.124890D+01 -0.183653D+01 -0.441285D+01
      3   0.925094D+00  0.373179D+00  0.255046D+01  0.823501D+00 -0.470941D+00
                46            47            48            49            50 
      1   0.666291D-01  0.155574D+00  0.596559D+00 -0.417939D+00 -0.943312D+00
      2  -0.103717D+00 -0.109860D+00  0.283229D+00  0.666519D+00  0.900700D+00
      3   0.103217D-01 -0.958029D+00  0.920742D-01  0.917272D+00 -0.151956D+00
                51            52            53            54            55 
      1   0.384449D+00 -0.461093D-01  0.442343D+01 -0.120549D+01  0.637553D+00
      2  -0.290201D+00 -0.447764D+01 -0.134097D+00  0.291882D+01 -0.520033D+01
      3  -0.275735D+00 -0.661860D+00 -0.379931D+00 -0.300287D+00 -0.881032D+00
                56            57            58            59            60 
      1   0.117380D+01  0.808136D-01  0.224405D+01 -0.251888D+00 -0.617748D+00
      2  -0.179220D+01  0.274132D+01 -0.215196D+01 -0.401408D+01 -0.423641D+01
      3   0.740001D+01  0.211239D+01  0.148910D+02 -0.351646D+01  0.261572D+01
                61            62            63            64            65 
      1  -0.117943D+00  0.254477D+01  0.400485D+00  0.117911D-01  0.195186D+00
      2  -0.461522D+01 -0.392440D+01  0.934535D+01 -0.189365D+01  0.139599D+00
      3   0.163865D+01  0.309452D+01  0.410605D+01 -0.392010D+00 -0.101978D+01
                66            67            68            69            70 
      1  -0.761688D-01  0.943486D-01 -0.350452D+00 -0.903714D+00 -0.244716D+00
      2   0.593723D+00  0.418492D+00 -0.122757D+01  0.258363D+01 -0.170490D+01
      3  -0.319590D+00 -0.796492D-01 -0.623573D+00  0.150347D+01 -0.576850D+00
                71            72            73            74            75 
      1   0.289711D+01  0.898109D+00  0.558922D+00 -0.708382D+00  0.874946D+00
      2   0.245219D+01 -0.139987D+02  0.501250D+00 -0.321836D+00  0.272010D+01
      3   0.252675D+01 -0.231487D+01  0.437807D+01 -0.724286D+01 -0.233446D-01
                76            77            78            79            80 
      1  -0.776808D+00  0.111027D+01 -0.231598D+01  0.298143D+00  0.709020D+00
      2   0.720331D-01  0.907086D+00 -0.306812D+01  0.474466D+00 -0.940584D+00
      3  -0.511734D+01  0.112456D+02 -0.663060D+00 -0.263435D+00 -0.118404D+01
                81            82            83            84            85 
      1   0.100643D+00 -0.653758D+00 -0.214734D+00 -0.103399D+01 -0.545532D+00
      2  -0.592938D+00  0.198955D+01  0.164040D+01  0.343344D+01  0.138273D+01
      3   0.802774D+00 -0.333866D+01 -0.607485D+01 -0.134425D+01 -0.383077D+01
                86            87            88            89            90 
      1  -0.204049D+00 -0.250847D+01 -0.595605D+00  0.538456D+00 -0.993595D+00
      2   0.249835D+01  0.431910D+01  0.645910D+00  0.244918D+01  0.258558D+01
      3  -0.757320D+01 -0.259703D+01 -0.110670D+01 -0.385268D+01 -0.236449D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.153661D+00  0.164408D+00  0.101812D+02  0.747353D+01  0.997878D+00
      2   0.123417D+01 -0.712136D-01 -0.546821D+01 -0.680268D+01  0.393734D+01
      3  -0.138783D+01 -0.931942D-01 -0.471297D+01 -0.670846D+00 -0.493522D+01
      4   0.235877D+01 -0.989794D+00 -0.938366D+01 -0.258491D+01 -0.558760D+01
      5   0.171045D+02 -0.725166D+01 -0.250208D+01 -0.429683D+01 -0.179689D+01
      6  -0.770610D+01  0.353856D+01  0.355001D+01  0.402233D+01  0.867347D+01
                 6             7             8             9            10 
      1  -0.104789D+02  0.131212D+02 -0.970818D+01  0.229505D+01 -0.114496D+02
      2   0.656399D+01 -0.677232D+01  0.723057D+01 -0.258895D+01  0.334348D+01
      3   0.391495D+01 -0.634889D+01  0.247761D+01  0.293898D+00  0.810616D+01
      4   0.399210D+00 -0.816511D+01 -0.164916D+01  0.605466D+01  0.485070D+00
      5   0.111650D+02 -0.288316D+01  0.624593D+01  0.994962D+00  0.748803D+00
      6  -0.121596D+02  0.300491D+01 -0.807720D+01  0.524365D+01  0.125592D+01
                11            12            13            14            15 
      1  -0.156328D+01  0.471619D+01 -0.203078D+00 -0.130033D+01  0.118592D+01
      2   0.800938D+00 -0.563772D-01 -0.104369D+01  0.186916D+01 -0.157442D+01
      3   0.762341D+00 -0.465981D+01  0.124677D+01 -0.568831D+00  0.388509D+00
      4  -0.666679D+01  0.207022D+01  0.352748D+00 -0.297160D+01 -0.116378D+01
      5   0.115990D+01 -0.867368D+01  0.184141D+01 -0.828182D+00 -0.758950D+00
      6   0.736091D-01  0.839748D+00  0.132503D+01 -0.501972D+00  0.295590D+01
                16            17            18            19            20 
      1   0.618644D+00 -0.246229D+01  0.139182D+02  0.700819D+01  0.591323D+01
      2  -0.893052D+00  0.208461D+00  0.704797D+01 -0.317067D+00 -0.223383D+01
      3   0.274407D+00  0.225383D+01 -0.209661D+02 -0.669113D+01 -0.367941D+01
      4   0.158637D+01 -0.151759D+01  0.194512D+01  0.107663D+02  0.142532D+02
      5   0.105650D+01  0.828228D+00 -0.599382D+01  0.226984D+01  0.291021D+01
      6   0.455875D+00  0.129977D+00  0.504833D+01  0.318375D+01  0.135247D+01
                21            22            23            24            25 
      1  -0.227575D+01  0.108796D+01 -0.111278D+02 -0.196959D+01  0.104524D+01
      2  -0.231273D+01  0.299454D+01  0.191625D+02 -0.198903D+01 -0.593281D+00
      3   0.458848D+01 -0.408250D+01 -0.803467D+01  0.395863D+01 -0.451955D+00
      4   0.314142D+01  0.142209D+02  0.185913D+02  0.120005D+01  0.261242D+01
      5   0.911639D+01  0.365321D+01  0.800034D+00  0.120147D+01  0.518478D+01
      6   0.838591D+00 -0.160661D+01  0.295923D+01  0.124981D+02  0.270980D+01
                26            27            28            29            30 
      1  -0.188638D+01 -0.709223D+01  0.942181D+00 -0.277979D+01  0.125525D+01
      2   0.958710D-01 -0.391764D+00 -0.313434D+00  0.156202D+01 -0.263457D+00
      3   0.179051D+01  0.748399D+01 -0.628748D+00  0.121777D+01 -0.991792D+00
      4   0.418785D+01  0.515469D+01 -0.219054D+01  0.372471D+01 -0.130513D+01
      5   0.494044D+01  0.528138D+01 -0.412928D+00 -0.897589D+00  0.375195D+01
      6   0.936540D+01  0.604345D+01 -0.185837D+01 -0.118658D+01  0.844601D-01
                31            32            33            34            35 
      1  -0.188826D+01 -0.872368D+01  0.687471D+01  0.497566D+00  0.847054D+01
      2   0.797262D+00  0.104436D+02 -0.570685D+01 -0.689988D+00 -0.602388D+01
      3   0.109100D+01 -0.171991D+01 -0.116786D+01  0.192422D+00 -0.244667D+01
      4   0.510856D+01 -0.617017D+01  0.484088D+01 -0.313512D+01  0.570821D+01
      5  -0.247437D+01  0.582481D+01 -0.637241D+01  0.505366D+01 -0.690215D+01
      6   0.125879D+01 -0.120857D+02  0.114388D+02 -0.221417D+01  0.129888D+02
                36            37            38            39            40 
      1  -0.104208D+02  0.259278D+02 -0.543123D+01 -0.843169D+01 -0.476958D+01
      2   0.735919D+00 -0.127809D+02  0.576109D+00  0.538299D+01 -0.147645D+00
      3   0.968486D+01 -0.131468D+02  0.485512D+01  0.304871D+01  0.491722D+01
      4  -0.554723D+01 -0.161668D+02  0.109572D+02  0.651767D+01  0.105146D+02
      5   0.113985D+02 -0.149338D+02  0.521102D+01  0.113944D+02  0.338290D+01
      6  -0.157464D+02  0.694704D+01 -0.363037D+01 -0.548842D+01 -0.367209D+01
                41            42            43            44            45 
      1   0.299443D+01  0.999433D+00 -0.112014D+02  0.269473D+01  0.350990D+01
      2   0.959955D+00  0.515143D+00  0.751597D+01 -0.105440D+01 -0.549163D+01
      3  -0.395438D+01 -0.151458D+01  0.368547D+01 -0.164033D+01  0.198172D+01
      4  -0.723821D+01 -0.420813D+01  0.846621D+01 -0.532069D+01 -0.690639D+01
      5  -0.371237D+01 -0.371546D+01  0.136261D+02 -0.613644D+01 -0.120265D+02
      6   0.309403D+01  0.500512D+01 -0.597187D+01  0.584962D+01  0.557822D+01
                46            47            48            49            50 
      1   0.587522D+00 -0.105869D+00  0.218064D+00 -0.330597D+00 -0.427332D+01
      2  -0.332602D+01  0.183590D-01 -0.763110D-01  0.535981D+00  0.422875D+00
      3   0.273850D+01  0.875095D-01 -0.141753D+00 -0.205384D+00  0.385045D+01
      4  -0.262000D+00  0.240457D+01 -0.844265D+00  0.173395D+01 -0.424926D+00
      5   0.774570D+00 -0.980833D+00  0.849398D+01 -0.109457D+01  0.111093D+01
      6  -0.953597D+00 -0.891848D-01  0.360108D-01 -0.246229D-01 -0.273833D+01
                51            52            53            54            55 
      1   0.401110D+01 -0.525555D+00  0.358121D+01 -0.247981D+02  0.236068D+01
      2   0.553891D+00 -0.128048D+01  0.375811D+00 -0.146111D+02 -0.486216D+01
      3  -0.456499D+01  0.180603D+01 -0.395702D+01  0.394091D+02  0.250147D+01
      4   0.802183D+00 -0.350215D+00  0.384062D+00 -0.914258D+00  0.275232D+01
      5  -0.965608D+00  0.570364D+01 -0.763540D+00  0.409627D+01 -0.114817D+02
      6   0.769864D+01 -0.791941D+00  0.669088D+01 -0.622773D+01 -0.286402D+01
                56            57            58            59            60 
      1   0.234168D+01 -0.850474D+01  0.212615D+01 -0.153290D+02 -0.379054D+01
      2   0.226250D+00  0.352333D+01  0.490149D+00  0.240505D+01  0.354273D+00
      3  -0.256793D+01  0.498142D+01 -0.261630D+01  0.129240D+02  0.343627D+01
      4  -0.188130D+02 -0.476653D+01 -0.259687D+02  0.557312D+01 -0.735209D+01
      5  -0.449375D+01  0.143835D+01 -0.608976D+01 -0.689845D+01 -0.753665D+01
      6  -0.141974D+01 -0.646612D+00 -0.179154D+01 -0.319067D+01 -0.216103D+01
                61            62            63            64            65 
      1  -0.100085D+02 -0.463643D+01  0.664704D+01  0.280940D+00  0.400077D+00
      2   0.285258D+01 -0.323114D+00  0.198232D+01 -0.176415D+01 -0.438094D+00
      3   0.715591D+01  0.495954D+01 -0.862936D+01  0.148321D+01  0.380170D-01
      4  -0.635387D+01 -0.775538D+01 -0.773437D+01  0.112651D+00  0.283075D+01
      5  -0.973319D+00 -0.734066D+01  0.136966D+02 -0.126705D+01 -0.424391D+00
      6  -0.164079D+01 -0.151173D+01  0.203303D+01 -0.781127D+00  0.623131D+00
                66            67            68            69            70 
      1  -0.295886D+01  0.855478D+00 -0.794107D+00  0.222287D+01 -0.442169D+01
      2   0.130488D+01 -0.765508D+00  0.676445D+00 -0.126999D+00  0.411667D+01
      3   0.165399D+01 -0.899693D-01  0.117661D+00 -0.209587D+01  0.305020D+00
      4  -0.626241D+00  0.447539D+01  0.133264D+01 -0.255904D+01 -0.122376D+01
      5   0.479262D+01 -0.833998D+00 -0.225440D+01  0.422630D+01  0.718679D+01
      6   0.358093D+00 -0.465738D+00 -0.207051D+01  0.581840D+01  0.889667D+00
                71            72            73            74            75 
      1   0.250442D+01 -0.120309D+02  0.198411D+02 -0.104165D+02  0.142448D+01
      2  -0.199209D+00 -0.954792D+01 -0.672132D+01  0.293326D+01 -0.403941D+00
      3  -0.230521D+01  0.215788D+02 -0.131198D+02  0.748322D+01 -0.102054D+01
      4  -0.437736D+01  0.438322D+01 -0.145018D+02  0.166146D+02 -0.233249D+00
      5   0.379167D+01 -0.236562D+02  0.105519D+01 -0.108965D-01  0.478361D+01
      6   0.535512D+01 -0.552724D+01  0.391984D+00 -0.282040D+00 -0.101409D+01
                76            77            78            79            80 
      1  -0.137371D+02  0.654914D+01 -0.284410D+00  0.263032D+01  0.460916D+00
      2   0.235186D+01  0.658002D+01 -0.234385D+00 -0.883704D+00 -0.420980D+00
      3   0.113852D+02 -0.131292D+02  0.518794D+00 -0.174661D+01 -0.399366D-01
      4   0.212061D+02 -0.249052D+02  0.184115D+01 -0.426008D+00  0.235632D+01
      5   0.464834D+00  0.151988D+01 -0.508407D+01  0.568970D+01 -0.374098D+01
      6  -0.709605D+00  0.101858D+01  0.372428D+01 -0.205910D+01  0.398712D+01
                81            82            83            84            85 
      1   0.690702D+00  0.186897D+02  0.818971D+01  0.535075D+01  0.110293D+02
      2  -0.936182D+00 -0.666360D+01 -0.173004D+01 -0.211760D+01 -0.169780D+01
      3   0.245480D+00 -0.120261D+02 -0.645967D+01 -0.323315D+01 -0.933145D+01
      4  -0.315081D+01  0.141803D+02  0.151675D+02  0.481104D+01  0.191980D+02
      5  -0.223939D+00  0.687370D+01  0.415927D+01  0.679345D+01  0.544716D+01
      6  -0.116815D+01  0.238452D+01  0.102015D+01  0.144222D+01  0.239521D+01
                86            87            88            89            90 
      1   0.468491D+01  0.164194D+01  0.775676D+01  0.139395D+01  0.102182D+01
      2   0.618696D+01  0.819415D+00 -0.385983D+01  0.523356D+00 -0.245800D+01
      3  -0.108719D+02 -0.246136D+01 -0.389694D+01 -0.191730D+01  0.143618D+01
      4   0.193350D+02  0.693073D+01  0.698908D+01  0.798374D+01  0.671537D+01
      5   0.623463D+01  0.784035D+01  0.861189D+01  0.661185D+01  0.716374D+01
      6   0.422316D+01  0.457041D+01  0.315196D+01  0.470493D+01  0.410406D+01
 Leave Link  716 at Thu Jul 22 18:06:54 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.482566D+02 -0.246565D+01  0.731148D+00
      2  -0.246565D+01  0.394829D+02 -0.618736D+00
      3   0.731148D+00 -0.618736D+00  0.393890D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.821584D+00  0.798007D+00 -0.627808D+01
      2  -0.431944D+01  0.746678D+00  0.705439D+01
      3   0.368902D+01 -0.622385D+01 -0.153321D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.240060D+02 -0.133503D-01  0.272703D+01
      2  -0.142583D+02  0.450383D+01 -0.751202D+01
      3  -0.974773D+01 -0.449048D+01  0.478499D+01
      4   0.177549D+02  0.690766D+01 -0.133534D+01
      5   0.484531D+01  0.190824D+00  0.131364D+02
      6  -0.182129D+01 -0.470154D+01  0.140176D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.400688D+01  0.118392D+01 -0.438878D+01  0.337649D-04 -0.885104D+00
      2   0.118392D+01 -0.403872D+00  0.204206D+01 -0.885104D+00  0.503859D+01
      3  -0.438878D+01  0.204206D+01 -0.130990D+00  0.105624D+01  0.234507D+01
                 6             7             8             9            10 
      1   0.105624D+01 -0.666843D+01  0.222886D+01  0.464249D+00  0.671916D+01
      2   0.234507D+01  0.222886D+01  0.239708D+01 -0.271203D+01 -0.132405D+01
      3  -0.237798D+01  0.464249D+00 -0.271203D+01  0.156409D+01  0.335100D+01
                11            12            13            14            15 
      1  -0.132405D+01  0.335100D+01 -0.166695D+01  0.461830D+01  0.431558D+00
      2   0.257037D+01  0.123323D+00  0.461830D+01 -0.195484D+00  0.129029D+01
      3   0.123323D+00 -0.200541D+00  0.431558D+00  0.129029D+01  0.128014D+01
                16            17            18            19            20 
      1   0.468723D+01  0.751502D+00  0.751701D+00 -0.379485D+01 -0.363604D+01
      2   0.751502D+00  0.114550D+01  0.172007D+01 -0.363604D+01 -0.927228D+00
      3   0.751701D+00  0.172007D+01 -0.792078D+01 -0.123597D+01 -0.268993D+00
                21            22            23            24            25 
      1  -0.123597D+01 -0.190712D+01 -0.289896D+01 -0.768412D+00 -0.176484D+01
      2  -0.268993D+00 -0.289896D+01 -0.901669D+01 -0.182727D+01 -0.129098D+01
      3   0.356409D+00 -0.768412D+00 -0.182727D+01 -0.536959D+00 -0.133731D+01
                26            27            28            29            30 
      1  -0.129098D+01 -0.133731D+01 -0.244783D+00  0.941985D+00 -0.323624D+00
      2  -0.152004D+01 -0.223907D+01  0.941985D+00 -0.367142D-01 -0.471867D+00
      3  -0.223907D+01 -0.132384D+01 -0.323624D+00 -0.471867D+00  0.237215D+00
                31            32            33            34            35 
      1   0.124994D+01 -0.750400D+00  0.370153D+00 -0.951468D+00  0.287506D+00
      2  -0.750400D+00  0.343973D+01 -0.288639D+01  0.287506D+00 -0.334678D+01
      3   0.370153D+00 -0.288639D+01  0.273258D+01 -0.747964D+00  0.328320D+01
                36            37            38            39            40 
      1  -0.747964D+00 -0.679590D+01  0.234895D+01  0.288554D+01  0.201345D+01
      2   0.328320D+01  0.234895D+01 -0.193851D+01 -0.102991D+01 -0.193790D+01
      3  -0.518744D+01  0.288554D+01 -0.102991D+01 -0.225485D+01 -0.721649D+00
                41            42            43            44            45 
      1  -0.193790D+01 -0.721649D+00  0.430839D+01 -0.142999D+01 -0.263615D+01
      2   0.135521D+01  0.629643D+00 -0.142999D+01  0.839884D+00  0.159224D+01
      3   0.629643D+00  0.931277D+00 -0.263615D+01  0.159224D+01  0.272110D+01
                46            47            48            49            50 
      1   0.750530D+00 -0.939466D-01  0.120931D+01 -0.190049D+00 -0.368082D+00
      2  -0.939466D-01 -0.158316D+00 -0.723893D-01 -0.368082D+00 -0.741627D+00
      3   0.120931D+01 -0.723893D-01  0.209702D+00 -0.406087D-01  0.121058D+01
                51            52            53            54            55 
      1  -0.406087D-01  0.159372D+01 -0.205939D+00  0.427702D+00 -0.207577D+01
      2   0.121058D+01 -0.205939D+00  0.127504D+01 -0.145420D+01  0.870218D+00
      3  -0.154382D+01  0.427702D+00 -0.145420D+01  0.107848D+02 -0.256036D+01
                56            57            58            59            60 
      1   0.870218D+00 -0.256036D+01  0.115938D+01 -0.614241D+01 -0.135624D+01
      2  -0.494241D+01 -0.119212D+01 -0.614241D+01  0.143884D+01 -0.164587D+01
      3  -0.119212D+01  0.655182D+00 -0.135624D+01 -0.164587D+01 -0.253564D+01
                61            62            63            64            65 
      1  -0.286632D+01 -0.135332D+01 -0.454470D+00  0.171784D-01  0.150284D+00
      2  -0.135332D+01 -0.191269D+01 -0.225432D+01  0.150284D+00  0.390744D+00
      3  -0.454470D+00 -0.225432D+01  0.627327D+01 -0.598260D+00  0.122545D+00
                66            67            68            69            70 
      1  -0.598260D+00  0.399705D+00  0.858737D+00 -0.116048D+00 -0.197803D+01
      2   0.122545D+00  0.858737D+00  0.513495D+00 -0.972818D+00 -0.749386D-01
      3  -0.531735D+00 -0.116048D+00 -0.972818D+00  0.128824D+01  0.114462D+01
                71            72            73            74            75 
      1  -0.749386D-01  0.114462D+01  0.476012D+01 -0.263469D+01  0.354852D+00
      2  -0.135059D+01  0.121360D+01 -0.263469D+01  0.301579D+01 -0.172629D-01
      3   0.121360D+01 -0.804631D+01  0.354852D+00 -0.172629D-01  0.668522D+00
                76            77            78            79            80 
      1  -0.468731D+01  0.411127D+01  0.148003D+00  0.949272D+00 -0.608505D-01
      2   0.411127D+01 -0.585652D+01  0.364621D+00 -0.608505D-01  0.636990D+00
      3   0.148003D+00  0.364621D+00 -0.992162D+00  0.927878D+00 -0.681961D+00
                81            82            83            84            85 
      1   0.927878D+00  0.467120D+01  0.219337D+01  0.130629D+01  0.362893D+01
      2  -0.681961D+00  0.219337D+01  0.243015D+01  0.764620D+00  0.339456D+01
      3  -0.276102D+00  0.130629D+01  0.764620D+00  0.991081D+00  0.997003D+00
                86            87            88            89            90 
      1   0.339456D+01  0.997003D+00  0.269048D+01  0.114815D+01  0.145974D+01
      2   0.402446D+01  0.149214D+01  0.114815D+01  0.183560D+01  0.153247D+01
      3   0.149214D+01  0.175431D+01  0.145974D+01  0.153247D+01  0.141118D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.669927D+01 -0.259214D+01 -0.251837D+00 -0.250632D+01 -0.143120D+01
      2   0.710119D+01 -0.411517D+01  0.194694D+01 -0.230156D+01 -0.196033D+01
      3   0.753775D+00 -0.406145D+01 -0.125708D+01  0.659974D+00  0.295656D+01
                 6             7             8             9            10 
      1   0.219917D+01 -0.332236D+01  0.583628D+01 -0.180340D+01 -0.238658D+01
      2   0.422519D+01 -0.201102D+01  0.456400D+01  0.849703D-01 -0.262052D+01
      3   0.429993D+01 -0.382337D+01  0.491192D+01 -0.268753D+01  0.921559D+00
                11            12            13            14            15 
      1   0.233946D+01 -0.217649D+00  0.258253D+01 -0.789004D+00 -0.223228D+01
      2   0.128416D+01 -0.182949D+01  0.211540D+01 -0.195699D+01 -0.616362D+00
      3  -0.189785D+01  0.187065D+00  0.546653D+01  0.997319D+00 -0.240801D+00
                16            17            18            19            20 
      1   0.909329D+00  0.565366D+00  0.193738D+01 -0.192725D+01 -0.689203D+00
      2  -0.856666D+01  0.558876D+00 -0.469715D+01  0.183956D+01  0.126633D+01
      3   0.114053D+01 -0.907256D+00 -0.480981D+00  0.177657D+01 -0.316262D+01
                21            22            23            24            25 
      1  -0.271216D+01 -0.128726D+01  0.272196D+01 -0.833553D+01 -0.134070D+01
      2   0.454958D+01 -0.168521D+01  0.240816D+01  0.264339D+01 -0.309116D+01
      3   0.251918D+00  0.886735D+01 -0.961790D+01 -0.151217D+01  0.290136D+01
                26            27            28            29            30 
      1   0.310018D+01 -0.236980D+01  0.222643D+00  0.571564D+00 -0.250599D+00
      2   0.187875D+01  0.214313D+01  0.108537D+01  0.346709D+00  0.276127D+00
      3  -0.104913D+01 -0.400143D+00  0.127693D+01  0.170337D+00 -0.506842D+00
                31            32            33            34            35 
      1  -0.304659D+00  0.860432D+00 -0.366071D+01  0.397778D+00 -0.448281D+00
      2   0.861551D+00  0.348256D+01 -0.349668D+01 -0.203072D+01 -0.383476D+01
      3   0.200885D+01  0.412593D+01 -0.313778D+01 -0.179879D+01 -0.398364D+01
                36            37            38            39            40 
      1   0.608390D+01 -0.322922D+01 -0.231136D+00  0.299009D+01  0.552036D+00
      2   0.625806D+01 -0.233316D+01  0.135258D+01  0.497943D+01  0.622006D+00
      3   0.411041D+01 -0.327280D+01 -0.289429D+01  0.111710D+01  0.344790D+00
                41            42            43            44            45 
      1  -0.413459D+00 -0.170358D+01  0.282947D+01 -0.424947D+00 -0.335766D+01
      2  -0.103788D+01 -0.206353D+01  0.124890D+01 -0.183653D+01 -0.441285D+01
      3   0.925094D+00  0.373179D+00  0.255046D+01  0.823501D+00 -0.470941D+00
                46            47            48            49            50 
      1   0.666291D-01  0.155574D+00  0.596559D+00 -0.417939D+00 -0.943312D+00
      2  -0.103717D+00 -0.109860D+00  0.283229D+00  0.666519D+00  0.900700D+00
      3   0.103217D-01 -0.958029D+00  0.920742D-01  0.917272D+00 -0.151956D+00
                51            52            53            54            55 
      1   0.384449D+00 -0.461093D-01  0.442343D+01 -0.120549D+01  0.637553D+00
      2  -0.290201D+00 -0.447764D+01 -0.134097D+00  0.291882D+01 -0.520033D+01
      3  -0.275735D+00 -0.661860D+00 -0.379931D+00 -0.300287D+00 -0.881032D+00
                56            57            58            59            60 
      1   0.117380D+01  0.808136D-01  0.224405D+01 -0.251888D+00 -0.617748D+00
      2  -0.179220D+01  0.274132D+01 -0.215196D+01 -0.401408D+01 -0.423641D+01
      3   0.740001D+01  0.211239D+01  0.148910D+02 -0.351646D+01  0.261572D+01
                61            62            63            64            65 
      1  -0.117943D+00  0.254477D+01  0.400485D+00  0.117911D-01  0.195186D+00
      2  -0.461522D+01 -0.392440D+01  0.934535D+01 -0.189365D+01  0.139599D+00
      3   0.163865D+01  0.309452D+01  0.410605D+01 -0.392010D+00 -0.101978D+01
                66            67            68            69            70 
      1  -0.761688D-01  0.943486D-01 -0.350452D+00 -0.903714D+00 -0.244716D+00
      2   0.593723D+00  0.418492D+00 -0.122757D+01  0.258363D+01 -0.170490D+01
      3  -0.319590D+00 -0.796492D-01 -0.623573D+00  0.150347D+01 -0.576850D+00
                71            72            73            74            75 
      1   0.289711D+01  0.898109D+00  0.558922D+00 -0.708382D+00  0.874946D+00
      2   0.245219D+01 -0.139987D+02  0.501250D+00 -0.321836D+00  0.272010D+01
      3   0.252675D+01 -0.231487D+01  0.437807D+01 -0.724286D+01 -0.233446D-01
                76            77            78            79            80 
      1  -0.776808D+00  0.111027D+01 -0.231598D+01  0.298143D+00  0.709020D+00
      2   0.720331D-01  0.907086D+00 -0.306812D+01  0.474466D+00 -0.940584D+00
      3  -0.511734D+01  0.112456D+02 -0.663060D+00 -0.263435D+00 -0.118404D+01
                81            82            83            84            85 
      1   0.100643D+00 -0.653758D+00 -0.214734D+00 -0.103399D+01 -0.545532D+00
      2  -0.592938D+00  0.198955D+01  0.164040D+01  0.343344D+01  0.138273D+01
      3   0.802774D+00 -0.333866D+01 -0.607485D+01 -0.134425D+01 -0.383077D+01
                86            87            88            89            90 
      1  -0.204049D+00 -0.250847D+01 -0.595605D+00  0.538456D+00 -0.993595D+00
      2   0.249835D+01  0.431910D+01  0.645910D+00  0.244918D+01  0.258558D+01
      3  -0.757320D+01 -0.259703D+01 -0.110670D+01 -0.385268D+01 -0.236449D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.153661D+00  0.164408D+00  0.101812D+02  0.747353D+01  0.997878D+00
      2   0.123417D+01 -0.712136D-01 -0.546821D+01 -0.680268D+01  0.393734D+01
      3  -0.138783D+01 -0.931942D-01 -0.471297D+01 -0.670846D+00 -0.493522D+01
      4   0.235877D+01 -0.989794D+00 -0.938366D+01 -0.258491D+01 -0.558760D+01
      5   0.171045D+02 -0.725166D+01 -0.250208D+01 -0.429683D+01 -0.179689D+01
      6  -0.770610D+01  0.353856D+01  0.355001D+01  0.402233D+01  0.867347D+01
                 6             7             8             9            10 
      1  -0.104789D+02  0.131212D+02 -0.970818D+01  0.229505D+01 -0.114496D+02
      2   0.656399D+01 -0.677232D+01  0.723057D+01 -0.258895D+01  0.334348D+01
      3   0.391495D+01 -0.634889D+01  0.247761D+01  0.293898D+00  0.810616D+01
      4   0.399210D+00 -0.816511D+01 -0.164916D+01  0.605466D+01  0.485070D+00
      5   0.111650D+02 -0.288316D+01  0.624593D+01  0.994962D+00  0.748803D+00
      6  -0.121596D+02  0.300491D+01 -0.807720D+01  0.524365D+01  0.125592D+01
                11            12            13            14            15 
      1  -0.156328D+01  0.471619D+01 -0.203078D+00 -0.130033D+01  0.118592D+01
      2   0.800938D+00 -0.563772D-01 -0.104369D+01  0.186916D+01 -0.157442D+01
      3   0.762341D+00 -0.465981D+01  0.124677D+01 -0.568831D+00  0.388509D+00
      4  -0.666679D+01  0.207022D+01  0.352748D+00 -0.297160D+01 -0.116378D+01
      5   0.115990D+01 -0.867368D+01  0.184141D+01 -0.828182D+00 -0.758950D+00
      6   0.736091D-01  0.839748D+00  0.132503D+01 -0.501972D+00  0.295590D+01
                16            17            18            19            20 
      1   0.618644D+00 -0.246229D+01  0.139182D+02  0.700819D+01  0.591323D+01
      2  -0.893052D+00  0.208461D+00  0.704797D+01 -0.317067D+00 -0.223383D+01
      3   0.274407D+00  0.225383D+01 -0.209661D+02 -0.669113D+01 -0.367941D+01
      4   0.158637D+01 -0.151759D+01  0.194512D+01  0.107663D+02  0.142532D+02
      5   0.105650D+01  0.828228D+00 -0.599382D+01  0.226984D+01  0.291021D+01
      6   0.455875D+00  0.129977D+00  0.504833D+01  0.318375D+01  0.135247D+01
                21            22            23            24            25 
      1  -0.227575D+01  0.108796D+01 -0.111278D+02 -0.196959D+01  0.104524D+01
      2  -0.231273D+01  0.299454D+01  0.191625D+02 -0.198903D+01 -0.593281D+00
      3   0.458848D+01 -0.408250D+01 -0.803467D+01  0.395863D+01 -0.451955D+00
      4   0.314142D+01  0.142209D+02  0.185913D+02  0.120005D+01  0.261242D+01
      5   0.911639D+01  0.365321D+01  0.800034D+00  0.120147D+01  0.518478D+01
      6   0.838591D+00 -0.160661D+01  0.295923D+01  0.124981D+02  0.270980D+01
                26            27            28            29            30 
      1  -0.188638D+01 -0.709223D+01  0.942181D+00 -0.277979D+01  0.125525D+01
      2   0.958710D-01 -0.391764D+00 -0.313434D+00  0.156202D+01 -0.263457D+00
      3   0.179051D+01  0.748399D+01 -0.628748D+00  0.121777D+01 -0.991792D+00
      4   0.418785D+01  0.515469D+01 -0.219054D+01  0.372471D+01 -0.130513D+01
      5   0.494044D+01  0.528138D+01 -0.412928D+00 -0.897589D+00  0.375195D+01
      6   0.936540D+01  0.604345D+01 -0.185837D+01 -0.118658D+01  0.844601D-01
                31            32            33            34            35 
      1  -0.188826D+01 -0.872368D+01  0.687471D+01  0.497566D+00  0.847054D+01
      2   0.797262D+00  0.104436D+02 -0.570685D+01 -0.689988D+00 -0.602388D+01
      3   0.109100D+01 -0.171991D+01 -0.116786D+01  0.192422D+00 -0.244667D+01
      4   0.510856D+01 -0.617017D+01  0.484088D+01 -0.313512D+01  0.570821D+01
      5  -0.247437D+01  0.582481D+01 -0.637241D+01  0.505366D+01 -0.690215D+01
      6   0.125879D+01 -0.120857D+02  0.114388D+02 -0.221417D+01  0.129888D+02
                36            37            38            39            40 
      1  -0.104208D+02  0.259278D+02 -0.543123D+01 -0.843169D+01 -0.476958D+01
      2   0.735919D+00 -0.127809D+02  0.576109D+00  0.538299D+01 -0.147645D+00
      3   0.968486D+01 -0.131468D+02  0.485512D+01  0.304871D+01  0.491722D+01
      4  -0.554723D+01 -0.161668D+02  0.109572D+02  0.651767D+01  0.105146D+02
      5   0.113985D+02 -0.149338D+02  0.521102D+01  0.113944D+02  0.338290D+01
      6  -0.157464D+02  0.694704D+01 -0.363037D+01 -0.548842D+01 -0.367209D+01
                41            42            43            44            45 
      1   0.299443D+01  0.999433D+00 -0.112014D+02  0.269473D+01  0.350990D+01
      2   0.959955D+00  0.515143D+00  0.751597D+01 -0.105440D+01 -0.549163D+01
      3  -0.395438D+01 -0.151458D+01  0.368547D+01 -0.164033D+01  0.198172D+01
      4  -0.723821D+01 -0.420813D+01  0.846621D+01 -0.532069D+01 -0.690639D+01
      5  -0.371237D+01 -0.371546D+01  0.136261D+02 -0.613644D+01 -0.120265D+02
      6   0.309403D+01  0.500512D+01 -0.597187D+01  0.584962D+01  0.557822D+01
                46            47            48            49            50 
      1   0.587522D+00 -0.105869D+00  0.218064D+00 -0.330597D+00 -0.427332D+01
      2  -0.332602D+01  0.183590D-01 -0.763110D-01  0.535981D+00  0.422875D+00
      3   0.273850D+01  0.875095D-01 -0.141753D+00 -0.205384D+00  0.385045D+01
      4  -0.262000D+00  0.240457D+01 -0.844265D+00  0.173395D+01 -0.424926D+00
      5   0.774570D+00 -0.980833D+00  0.849398D+01 -0.109457D+01  0.111093D+01
      6  -0.953597D+00 -0.891848D-01  0.360108D-01 -0.246229D-01 -0.273833D+01
                51            52            53            54            55 
      1   0.401110D+01 -0.525555D+00  0.358121D+01 -0.247981D+02  0.236068D+01
      2   0.553891D+00 -0.128048D+01  0.375811D+00 -0.146111D+02 -0.486216D+01
      3  -0.456499D+01  0.180603D+01 -0.395702D+01  0.394091D+02  0.250147D+01
      4   0.802183D+00 -0.350215D+00  0.384062D+00 -0.914258D+00  0.275232D+01
      5  -0.965608D+00  0.570364D+01 -0.763540D+00  0.409627D+01 -0.114817D+02
      6   0.769864D+01 -0.791941D+00  0.669088D+01 -0.622773D+01 -0.286402D+01
                56            57            58            59            60 
      1   0.234168D+01 -0.850474D+01  0.212615D+01 -0.153290D+02 -0.379054D+01
      2   0.226250D+00  0.352333D+01  0.490149D+00  0.240505D+01  0.354273D+00
      3  -0.256793D+01  0.498142D+01 -0.261630D+01  0.129240D+02  0.343627D+01
      4  -0.188130D+02 -0.476653D+01 -0.259687D+02  0.557312D+01 -0.735209D+01
      5  -0.449375D+01  0.143835D+01 -0.608976D+01 -0.689845D+01 -0.753665D+01
      6  -0.141974D+01 -0.646612D+00 -0.179154D+01 -0.319067D+01 -0.216103D+01
                61            62            63            64            65 
      1  -0.100085D+02 -0.463643D+01  0.664704D+01  0.280940D+00  0.400077D+00
      2   0.285258D+01 -0.323114D+00  0.198232D+01 -0.176415D+01 -0.438094D+00
      3   0.715591D+01  0.495954D+01 -0.862936D+01  0.148321D+01  0.380170D-01
      4  -0.635387D+01 -0.775538D+01 -0.773437D+01  0.112651D+00  0.283075D+01
      5  -0.973319D+00 -0.734066D+01  0.136966D+02 -0.126705D+01 -0.424391D+00
      6  -0.164079D+01 -0.151173D+01  0.203303D+01 -0.781127D+00  0.623131D+00
                66            67            68            69            70 
      1  -0.295886D+01  0.855478D+00 -0.794107D+00  0.222287D+01 -0.442169D+01
      2   0.130488D+01 -0.765508D+00  0.676445D+00 -0.126999D+00  0.411667D+01
      3   0.165399D+01 -0.899693D-01  0.117661D+00 -0.209587D+01  0.305020D+00
      4  -0.626241D+00  0.447539D+01  0.133264D+01 -0.255904D+01 -0.122376D+01
      5   0.479262D+01 -0.833998D+00 -0.225440D+01  0.422630D+01  0.718679D+01
      6   0.358093D+00 -0.465738D+00 -0.207051D+01  0.581840D+01  0.889667D+00
                71            72            73            74            75 
      1   0.250442D+01 -0.120309D+02  0.198411D+02 -0.104165D+02  0.142448D+01
      2  -0.199209D+00 -0.954792D+01 -0.672132D+01  0.293326D+01 -0.403941D+00
      3  -0.230521D+01  0.215788D+02 -0.131198D+02  0.748322D+01 -0.102054D+01
      4  -0.437736D+01  0.438322D+01 -0.145018D+02  0.166146D+02 -0.233249D+00
      5   0.379167D+01 -0.236562D+02  0.105519D+01 -0.108965D-01  0.478361D+01
      6   0.535512D+01 -0.552724D+01  0.391984D+00 -0.282040D+00 -0.101409D+01
                76            77            78            79            80 
      1  -0.137371D+02  0.654914D+01 -0.284410D+00  0.263032D+01  0.460916D+00
      2   0.235186D+01  0.658002D+01 -0.234385D+00 -0.883704D+00 -0.420980D+00
      3   0.113852D+02 -0.131292D+02  0.518794D+00 -0.174661D+01 -0.399366D-01
      4   0.212061D+02 -0.249052D+02  0.184115D+01 -0.426008D+00  0.235632D+01
      5   0.464834D+00  0.151988D+01 -0.508407D+01  0.568970D+01 -0.374098D+01
      6  -0.709605D+00  0.101858D+01  0.372428D+01 -0.205910D+01  0.398712D+01
                81            82            83            84            85 
      1   0.690702D+00  0.186897D+02  0.818971D+01  0.535075D+01  0.110293D+02
      2  -0.936182D+00 -0.666360D+01 -0.173004D+01 -0.211760D+01 -0.169780D+01
      3   0.245480D+00 -0.120261D+02 -0.645967D+01 -0.323315D+01 -0.933145D+01
      4  -0.315081D+01  0.141803D+02  0.151675D+02  0.481104D+01  0.191980D+02
      5  -0.223939D+00  0.687370D+01  0.415927D+01  0.679345D+01  0.544716D+01
      6  -0.116815D+01  0.238452D+01  0.102015D+01  0.144222D+01  0.239521D+01
                86            87            88            89            90 
      1   0.468491D+01  0.164194D+01  0.775676D+01  0.139395D+01  0.102182D+01
      2   0.618696D+01  0.819415D+00 -0.385983D+01  0.523356D+00 -0.245800D+01
      3  -0.108719D+02 -0.246136D+01 -0.389694D+01 -0.191730D+01  0.143618D+01
      4   0.193350D+02  0.693073D+01  0.698908D+01  0.798374D+01  0.671537D+01
      5   0.623463D+01  0.784035D+01  0.861189D+01  0.661185D+01  0.716374D+01
      6   0.422316D+01  0.457041D+01  0.315196D+01  0.470493D+01  0.410406D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.337217D+00      0.857120D+00      0.285904D+01
   y          0.651403D+00      0.165570D+01      0.552283D+01
   z          0.266668D+00      0.677803D+00      0.226091D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.448764D+02      0.664999D+01      0.739912D+01
   yx        -0.293313D+01     -0.434645D+00     -0.483607D+00
   yy         0.357864D+02      0.530300D+01      0.590038D+01
   zx         0.962235D+00      0.142589D+00      0.158651D+00
   zy        -0.123787D+01     -0.183434D+00     -0.204098D+00
   zz         0.361063D+02      0.535040D+01      0.595312D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.423761D+02      0.627950D+01      0.698688D+01
   aniso      0.993987D+01      0.147294D+01      0.163886D+01
   xx         0.482566D+02      0.715089D+01      0.795643D+01
   yx        -0.246565D+01     -0.365371D+00     -0.406530D+00
   yy         0.394829D+02      0.585076D+01      0.650985D+01
   zx         0.731148D+00      0.108345D+00      0.120550D+00
   zy        -0.618736D+00     -0.916872D-01     -0.102016D+00
   zz         0.393890D+02      0.583684D+01      0.649436D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.95195356          1.18247855          0.08505260
     6         -0.13116355         -0.87721094          0.38118758
     8         -0.74953804          0.08328687         -2.07320661
     1         -1.37075432          3.10238706          0.52204999
     1         -3.96335442          0.81158928          0.25066262
     1         -0.88989594         -2.75655362          0.73067889
     6          2.52045704         -0.44129423          1.28748780
     1          3.12084466          1.48662089          0.87574127
     1          3.82761779         -1.74058113          0.35971124
     1          2.64779815         -0.75360554          3.32444940

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.780483D+00      0.198379D+01      0.661721D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.429366D+02      0.636254D+01      0.707928D+01
   yx        -0.401395D+01     -0.594805D+00     -0.661810D+00
   yy         0.388492D+02      0.575685D+01      0.640536D+01
   zx         0.223041D+01      0.330513D+00      0.367746D+00
   zy        -0.874592D+00     -0.129601D+00     -0.144201D+00
   zz         0.349833D+02      0.518399D+01      0.576797D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.423761D+02      0.627950D+01      0.698688D+01
   aniso      0.993987D+01      0.147294D+01      0.163886D+01
   xx         0.464208D+02      0.687885D+01      0.765375D+01
   yx        -0.371325D+01     -0.550247D+00     -0.612233D+00
   yy         0.415131D+02      0.615161D+01      0.684459D+01
   zx         0.215049D+01      0.318670D+00      0.354568D+00
   zy        -0.952622D+00     -0.141164D+00     -0.157066D+00
   zz         0.391945D+02      0.580803D+01      0.646230D+01

 ----------------------------------------------------------------------
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 0000288,0.00000147,0.00000302,0.00000300,-0.00000118,-0.00000158,-0.00
 000040,-0.00000024,0.00000088,0.00000158,-0.00000162,-0.00000002\\\@


 A MAN IS NEVER SO BRILLIANT AS WHEN HE TAKES THE WORDS RIGHT OUT
 OF YOUR MOUTH. -- ARNOT SHEPPARD, JR.
 Job cpu time:       0 days  0 hours 24 minutes  3.7 seconds.
 Elapsed time:       0 days  0 hours  3 minutes  3.7 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 18:06:54 2021.
